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

C12H8ClFN4O2S — CID 146323136

IUPACN-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H8ClFN4O2S/c13-8-3-7(6-18(2-1-14)12(8)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyPAUNJIMTHGCPHZ-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.05
Rot. Bonds4

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

N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide (PubChem CID 146323136) has the molecular formula C12H8ClFN4O2S and a molecular weight of 326.74 g/mol. Its IUPAC name is N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
PubChem CID146323136
Molecular FormulaC12H8ClFN4O2S
Molecular Weight326.74 g/mol
Exact Mass326.00
IUPAC NameN-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H8ClFN4O2S/c13-8-3-7(6-18(2-1-14)12(8)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyPAUNJIMTHGCPHZ-UHFFFAOYSA-N
XLogP2.05
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
CID 146323492
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
CID 166024364
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane
CID 167703950
4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 167684866
4-chloro-5-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrrolidine-2-carboxamide
CID 166024255
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 146323188
4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323367

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide (CID 146323136) is N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2cc(Cl)c(=O)n(CCF)c2)s1.
What is the InChIKey of N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
The InChIKey is PAUNJIMTHGCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O2S/c13-8-3-7(6-18(2-1-14)12(8)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19).
What are the key properties of N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide?
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide has a molecular weight of 326.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).