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CAS 1104276-29-0 4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1104276-29-0

4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011503
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1104276-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1104276-29-0 / 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

4-methyl-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxylic acid | 4-Methyl-2-(2-pyrimidinyl)-5-thiazolecarboxylic acid | DTXSID201219854

Standard CAS: 1104276-29-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1104276-29-0
Multi CAS
No
Molecular Formula
C9H7N3O2S
Molecular Weight
221.240000
Exact Mass
221.025898
SMILES
CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)O
InChI
InChI=1S/C9H7N3O2S/c1-5-6(9(13)14)15-8(12-5)7-10-3-2-4-11-7/h2-4H,1H3,(H,13,14)
InChIKey
LSOLFLCPKUKMAX-UHFFFAOYSA-N
Synonyms
4-methyl-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxylic acid 4-Methyl-2-(2-pyrimidinyl)-5-thiazolecarboxylic acid DTXSID201219854 RefChem:525051 DTXCID901651156

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.84
TPSA
75.97

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.2
Consensus LogP
1.41
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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