N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide

C16H11ClN2OS — CID 1486911

IUPACN-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2OS/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20)
InChIKeyKLGVIRZZGLETAQ-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

About N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 1486911) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID1486911
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2OS/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20)
InChIKeyKLGVIRZZGLETAQ-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 1486911) is N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is KLGVIRZZGLETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-10H,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 314.80 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).