N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide

C12H6ClF3N4O2S — CID 146323468

IUPACN-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CC(F)(F)F)c2)s1
InChIInChI=1S/C12H6ClF3N4O2S/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8/h1,3-4H,5H2,(H,19,21)
InChIKeyFYCGQNJCOCYHME-UHFFFAOYSA-N
MW362.72 g/mol
LogP2.64
Rot. Bonds3

About N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide

N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide (PubChem CID 146323468) has the molecular formula C12H6ClF3N4O2S and a molecular weight of 362.72 g/mol. Its IUPAC name is N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
PubChem CID146323468
Molecular FormulaC12H6ClF3N4O2S
Molecular Weight362.72 g/mol
Exact Mass361.99
IUPAC NameN-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CC(F)(F)F)c2)s1
InChIInChI=1S/C12H6ClF3N4O2S/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8/h1,3-4H,5H2,(H,19,21)
InChIKeyFYCGQNJCOCYHME-UHFFFAOYSA-N
XLogP2.64
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 146309480
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323317
2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323383
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 146323442
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323457
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323459
2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323473
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323474
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 153397919
2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 153397996

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide (CID 146323468) is N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CC(F)(F)F)c2)s1.
What is the InChIKey of N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The InChIKey is FYCGQNJCOCYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4O2S/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8/h1,3-4H,5H2,(H,19,21).
What are the key properties of N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide has a molecular weight of 362.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).