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

C12H9FN4O2S — CID 146323132

IUPAC2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(C#N)s2)cc(F)c1=O
InChIInChI=1S/C12H9FN4O2S/c1-2-17-6-7(3-8(13)12(17)19)16-11(18)9-5-15-10(4-14)20-9/h3,5-6H,2H2,1H3,(H,16,18)
InChIKeyPYPVMQAHXGIZDY-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.59
Rot. Bonds3

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

2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 146323132) has the molecular formula C12H9FN4O2S and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID146323132
Molecular FormulaC12H9FN4O2S
Molecular Weight292.30 g/mol
Exact Mass292.04
IUPAC Name2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(C#N)s2)cc(F)c1=O
InChIInChI=1S/C12H9FN4O2S/c1-2-17-6-7(3-8(13)12(17)19)16-11(18)9-5-15-10(4-14)20-9/h3,5-6H,2H2,1H3,(H,16,18)
InChIKeyPYPVMQAHXGIZDY-UHFFFAOYSA-N
XLogP1.59
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 146323132) is 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is CCn1cc(NC(=O)c2cnc(C#N)s2)cc(F)c1=O.
What is the InChIKey of 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PYPVMQAHXGIZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c1-2-17-6-7(3-8(13)12(17)19)16-11(18)9-5-15-10(4-14)20-9/h3,5-6H,2H2,1H3,(H,16,18).
What are the key properties of 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).