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

C12H8F2N4O2S — CID 146323457

IUPAC2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H8F2N4O2S/c13-1-2-18-6-7(3-8(14)12(18)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyVRYMTUFMWMZCKT-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.54
Rot. Bonds4

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

2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146323457) has the molecular formula C12H8F2N4O2S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID146323457
Molecular FormulaC12H8F2N4O2S
Molecular Weight310.29 g/mol
Exact Mass310.03
IUPAC Name2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESN#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H8F2N4O2S/c13-1-2-18-6-7(3-8(14)12(18)20)17-11(19)9-5-16-10(4-15)21-9/h3,5-6H,1-2H2,(H,17,19)
InChIKeyVRYMTUFMWMZCKT-UHFFFAOYSA-N
XLogP1.54
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146323457) is 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VRYMTUFMWMZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O2S/c13-1-2-18-6-7(3-8(14)12(18)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 2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 1.54, 4 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-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).