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CAS 400080-72-0 N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide molecular structure lightbox
CAS RN: 400080-72-0

N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

  • Product code: SSC-147877
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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: 0.25g
  • 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 400080-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

400080-72-0 / N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Standard CAS: 400080-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400080-72-0
Multi CAS
No
Molecular Formula
C9H8N2OS2
Molecular Weight
224.300000
Exact Mass
224.007805
InChI
InChI=1S/C9H8N2OS2/c1-10-8(12)6-5-14-9(11-6)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)
InChIKey
VFANSSLFXLATKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.82
TPSA
41.99

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

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