N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H9F2N3OS — CID 2092860

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccn1
InChIInChI=1S/C15H9F2N3OS/c16-9-4-5-11(17)10(7-9)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21)
InChIKeyQOFCOGQIXMTECV-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 2092860) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID2092860
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccn1
InChIInChI=1S/C15H9F2N3OS/c16-9-4-5-11(17)10(7-9)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21)
InChIKeyQOFCOGQIXMTECV-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 N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 2092860) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccn1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is QOFCOGQIXMTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-9-4-5-11(17)10(7-9)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-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 N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 2092860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).