N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C15H11N3OS — CID 790259

IUPACN-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1
InChIInChI=1S/C15H11N3OS/c19-14(12-6-8-16-9-7-12)18-15-17-13(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,17,18,19)
InChIKeyPUUUVNHZQJNJSV-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.46
Rot. Bonds3

About N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 790259) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID790259
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1
InChIInChI=1S/C15H11N3OS/c19-14(12-6-8-16-9-7-12)18-15-17-13(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,17,18,19)
InChIKeyPUUUVNHZQJNJSV-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 790259) is N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is PUUUVNHZQJNJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14(12-6-8-16-9-7-12)18-15-17-13(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,17,18,19).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 790259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).