N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C20H19ClN2OS — CID 18279656

IUPACN-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NCc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C20H19ClN2OS/c1-3-14-7-9-16(10-8-14)20-23-13(2)18(25-20)19(24)22-12-15-5-4-6-17(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyAURONUBOEAEYCQ-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.26
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 18279656) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID18279656
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NCc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C20H19ClN2OS/c1-3-14-7-9-16(10-8-14)20-23-13(2)18(25-20)19(24)22-12-15-5-4-6-17(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,24)
InChIKeyAURONUBOEAEYCQ-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-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

2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041
2-(3-chlorophenyl)-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38123393
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 55954545
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061769
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 18279656) is N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)NCc3cccc(Cl)c3)s2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AURONUBOEAEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-3-14-7-9-16(10-8-14)20-23-13(2)18(25-20)19(24)22-12-15-5-4-6-17(21)11-15/h4-11H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.91 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18279656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).