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

C16H11ClN2OS — CID 2744454

IUPACN-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2OS/c17-12-6-8-13(9-7-12)18-15(20)14-10-21-16(19-14)11-4-2-1-3-5-11/h1-10H,(H,18,20)
InChIKeyUDSYJVBVXRWNKE-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.72
Rot. Bonds3

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

N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 2744454) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID2744454
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC NameN-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN2OS/c17-12-6-8-13(9-7-12)18-15(20)14-10-21-16(19-14)11-4-2-1-3-5-11/h1-10H,(H,18,20)
InChIKeyUDSYJVBVXRWNKE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 2824236
N4-(2,4-dichlorophenyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824238
2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 21039706
2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 1472600
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334
N-(4-chlorophenyl)-2-(4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1483683
2-[(2,6-dichlorophenyl)methyl]-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9977742
N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 10000307
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10477833
N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 10478504
N-(4-tert-butylphenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11742813
2-Phenyl-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 25094945

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 2744454) is N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is UDSYJVBVXRWNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-6-8-13(9-7-12)18-15(20)14-10-21-16(19-14)11-4-2-1-3-5-11/h1-10H,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(4-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-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2744454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).