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

C11H8ClF2N3O2S — CID 146323459

IUPAC2-chloro-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(Cl)s1
InChIInChI=1S/C11H8ClF2N3O2S/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18)
InChIKeySGDJDLOQIDGBOE-UHFFFAOYSA-N
MW319.72 g/mol
LogP2.32
Rot. Bonds4

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

2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146323459) has the molecular formula C11H8ClF2N3O2S and a molecular weight of 319.72 g/mol. Its IUPAC name is 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID146323459
Molecular FormulaC11H8ClF2N3O2S
Molecular Weight319.72 g/mol
Exact Mass319.00
IUPAC Name2-chloro-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(Cl)s1
InChIInChI=1S/C11H8ClF2N3O2S/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18)
InChIKeySGDJDLOQIDGBOE-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146323459) is 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-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(Cl)s1.
What is the InChIKey of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SGDJDLOQIDGBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O2S/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18).
What are the key properties of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.72 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).