N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C17H21ClN2OS — CID 134015239

IUPACN-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C17H21ClN2OS/c1-4-6-10-20(5-2)17(21)15-12(3)19-16(22-15)13-8-7-9-14(18)11-13/h7-9,11H,4-6,10H2,1-3H3
InChIKeyIHNZLEIFUJLBFM-UHFFFAOYSA-N
MW336.89 g/mol
LogP5.03
Rot. Bonds6

About N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 134015239) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID134015239
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1sc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C17H21ClN2OS/c1-4-6-10-20(5-2)17(21)15-12(3)19-16(22-15)13-8-7-9-14(18)11-13/h7-9,11H,4-6,10H2,1-3H3
InChIKeyIHNZLEIFUJLBFM-UHFFFAOYSA-N
XLogP5.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.89
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-(3-chlorophenyl)-N-ethyl-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-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55388539
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9064912
N-(3-amino-3-oxopropyl)-2-(3-chlorophenyl)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99163895
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 24679423

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 134015239) is N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCCCN(CC)C(=O)c1sc(-c2cccc(Cl)c2)nc1C.
What is the InChIKey of N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IHNZLEIFUJLBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-4-6-10-20(5-2)17(21)15-12(3)19-16(22-15)13-8-7-9-14(18)11-13/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 336.89 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134015239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).