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

C12H6F4N4O2S — CID 146309480

IUPAC2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1
InChIInChI=1S/C12H6F4N4O2S/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)
InChIKeyONUHFLBYBKJHCX-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.13
Rot. Bonds3

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

2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146309480) has the molecular formula C12H6F4N4O2S and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID146309480
Molecular FormulaC12H6F4N4O2S
Molecular Weight346.27 g/mol
Exact Mass346.01
IUPAC Name2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1
InChIInChI=1S/C12H6F4N4O2S/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)
InChIKeyONUHFLBYBKJHCX-UHFFFAOYSA-N
XLogP2.13
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
CID 142697276
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
N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323468
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

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146309480) is 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1.
What is the InChIKey of 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ONUHFLBYBKJHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N4O2S/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 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146309480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).