3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C15H9F2N3OS — CID 8924045

IUPAC3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H9F2N3OS/c16-10-5-9(6-11(17)7-10)14(21)20-15-19-13(8-22-15)12-3-1-2-4-18-12/h1-8H,(H,19,20,21)
InChIKeyQHWWUHRWKBYZLL-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

About 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 8924045) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID8924045
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H9F2N3OS/c16-10-5-9(6-11(17)7-10)14(21)20-15-19-13(8-22-15)12-3-1-2-4-18-12/h1-8H,(H,19,20,21)
InChIKeyQHWWUHRWKBYZLL-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 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 8924045) is 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QHWWUHRWKBYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-10-5-9(6-11(17)7-10)14(21)20-15-19-13(8-22-15)12-3-1-2-4-18-12/h1-8H,(H,19,20,21).
What are the key properties of 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide 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 3,5-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 8924045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).