N,2-diphenyl-1,3-thiazole-4-carboxamide

C16H12N2OS — CID 2744457

IUPACN,2-diphenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H12N2OS/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19)
InChIKeyIUSLLZOJSNRLMQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.06
Rot. Bonds3

About N,2-diphenyl-1,3-thiazole-4-carboxamide

N,2-diphenyl-1,3-thiazole-4-carboxamide (PubChem CID 2744457) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N,2-diphenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-diphenyl-1,3-thiazole-4-carboxamide
PubChem CID2744457
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN,2-diphenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H12N2OS/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19)
InChIKeyIUSLLZOJSNRLMQ-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-diphenyl-1,3-thiazole-4-carboxamide (CID 2744457) is N,2-diphenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-diphenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-diphenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N,2-diphenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IUSLLZOJSNRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19).
What are the key properties of N,2-diphenyl-1,3-thiazole-4-carboxamide?
N,2-diphenyl-1,3-thiazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2744457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).