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CAS 1095825-46-9 5-ThiazolecarboxaMide, 2-acetyl-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]- molecular structure lightbox
CAS RN: 1095825-46-9

5-ThiazolecarboxaMide, 2-acetyl-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]-

  • Product code: SSC-010959
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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 1095825-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1095825-46-9 / 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-Acetyl-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide | 2-acetyl-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide | 5-Thiazolecarboxamide, 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-

Standard CAS: 1095825-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095825-46-9
Multi CAS
No
Molecular Formula
C12H7ClF3N3O2S
Molecular Weight
349.720000
Exact Mass
348.989960
SMILES
CC(=O)C1=NC=C(S1)C(=O)NC2=NC=C(C(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C12H7ClF3N3O2S/c1-5(20)11-18-4-8(22-11)10(21)19-9-2-6(12(14,15)16)7(13)3-17-9/h2-4H,1H3,(H,17,19,21)
InChIKey
NKTDEOHJLYPGQC-UHFFFAOYSA-N
Synonyms
2-Acetyl-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide 2-acetyl-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide 5-Thiazolecarboxamide, 2-acetyl-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]- SCHEMBL10183996 SCHEMBL30664387

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.32
TPSA
71.95

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
2.9
Consensus LogP
3.27
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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