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

C12H9F4N3O2S — CID 146323474

IUPAC2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(C(F)F)s1
InChIInChI=1S/C12H9F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3-5,9H,1-2H2,(H,18,20)
InChIKeyKZJWWUJMUYGKST-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.60
Rot. Bonds5

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

2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146323474) has the molecular formula C12H9F4N3O2S and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID146323474
Molecular FormulaC12H9F4N3O2S
Molecular Weight335.28 g/mol
Exact Mass335.04
IUPAC Name2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(C(F)F)s1
InChIInChI=1S/C12H9F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3-5,9H,1-2H2,(H,18,20)
InChIKeyKZJWWUJMUYGKST-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
CID 142697276
2-(aminomethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 144024743
2-(1-aminoethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547312
2-(1-aminoethyl)-N-[(3E)-5-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547617
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146323474) is 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KZJWWUJMUYGKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3-5,9H,1-2H2,(H,18,20).
What are the key properties of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 335.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).