2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

C15H9F2N3OS — CID 90286724

IUPAC2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H9F2N3OS/c16-9-4-3-5-10(17)13(9)15-19-11(8-22-15)14(21)20-12-6-1-2-7-18-12/h1-8H,(H,18,20,21)
InChIKeyZBTUJRLDXJORJK-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 90286724) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID90286724
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H9F2N3OS/c16-9-4-3-5-10(17)13(9)15-19-11(8-22-15)14(21)20-12-6-1-2-7-18-12/h1-8H,(H,18,20,21)
InChIKeyZBTUJRLDXJORJK-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 90286724) is 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccn1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZBTUJRLDXJORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-9-4-3-5-10(17)13(9)15-19-11(8-22-15)14(21)20-12-6-1-2-7-18-12/h1-8H,(H,18,20,21).
What are the key properties of 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90286724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).