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

C12H7F6N3O2S — CID 146323442

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H7F6N3O2S/c13-6-1-5(3-21(10(6)23)4-8(14)15)20-9(22)7-2-19-11(24-7)12(16,17)18/h1-3,8H,4H2,(H,20,22)
InChIKeyYJGLOKHUSBPZJB-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.98
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 146323442) has the molecular formula C12H7F6N3O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID146323442
Molecular FormulaC12H7F6N3O2S
Molecular Weight371.26 g/mol
Exact Mass371.02
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H7F6N3O2S/c13-6-1-5(3-21(10(6)23)4-8(14)15)20-9(22)7-2-19-11(24-7)12(16,17)18/h1-3,8H,4H2,(H,20,22)
InChIKeyYJGLOKHUSBPZJB-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 146323442) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YJGLOKHUSBPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O2S/c13-6-1-5(3-21(10(6)23)4-8(14)15)20-9(22)7-2-19-11(24-7)12(16,17)18/h1-3,8H,4H2,(H,20,22).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).