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CAS 1196147-20-2 4-AMino-2-chloro-thiazole-5-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1196147-20-2

4-AMino-2-chloro-thiazole-5-carboxylic acid Methyl ester

  • Product code: SSC-020180
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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: ≥95%
  • 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 1196147-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1196147-20-2 / methyl 4-amino-2-chloro-1,3-thiazole-5-carboxylate

METHYL 4-AMINO-2-CHLOROTHIAZOLE-5-CARBOXYLATE | METHYL 4-AMINO-2-CHLORO-1,3-THIAZOLE-5-CARBOXYLATE | 4-AMINO-2-CHLORO-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

Standard CAS: 1196147-20-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196147-20-2
Multi CAS
No
Molecular Formula
C5H5ClN2O2S
Molecular Weight
192.620000
Exact Mass
191.976026
SMILES
COC(=O)C1=C(N=C(S1)Cl)N
InChI
InChI=1S/C5H5ClN2O2S/c1-10-4(9)2-3(7)8-5(6)11-2/h7H2,1H3
InChIKey
XJEGTQDOGZSFKN-UHFFFAOYSA-N
Synonyms
METHYL 4-AMINO-2-CHLOROTHIAZOLE-5-CARBOXYLATE METHYL 4-AMINO-2-CHLORO-1,3-THIAZOLE-5-CARBOXYLATE 4-AMINO-2-CHLORO-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTER SCHEMBL27191747 DTXSID101251970

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.88
TPSA
65.21

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
2.3
Consensus LogP
1.5
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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