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

C12H9F4N3O3S — CID 153397996

IUPAC2-(difluoromethoxy)-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(OC(F)F)s1
InChIInChI=1S/C12H9F4N3O3S/c13-1-2-19-5-6(3-7(14)10(19)21)18-9(20)8-4-17-12(23-8)22-11(15)16/h3-5,11H,1-2H2,(H,18,20)
InChIKeyMLSJLHRODLPILN-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.27
Rot. Bonds6

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

2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 153397996) has the molecular formula C12H9F4N3O3S and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID153397996
Molecular FormulaC12H9F4N3O3S
Molecular Weight351.28 g/mol
Exact Mass351.03
IUPAC Name2-(difluoromethoxy)-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(OC(F)F)s1
InChIInChI=1S/C12H9F4N3O3S/c13-1-2-19-5-6(3-7(14)10(19)21)18-9(20)8-4-17-12(23-8)22-11(15)16/h3-5,11H,1-2H2,(H,18,20)
InChIKeyMLSJLHRODLPILN-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[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
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 153397996) is 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethoxy)-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(OC(F)F)s1.
What is the InChIKey of 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MLSJLHRODLPILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O3S/c13-1-2-19-5-6(3-7(14)10(19)21)18-9(20)8-4-17-12(23-8)22-11(15)16/h3-5,11H,1-2H2,(H,18,20).
What are the key properties of 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 153397996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).