N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C17H14ClN3O2S2 — CID 9089274

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H14ClN3O2S2/c1-21(8-15(22)19-13-4-2-12(18)3-5-13)17(23)14-10-25-16(20-14)11-6-7-24-9-11/h2-7,9-10H,8H2,1H3,(H,19,22)
InChIKeyXNAMGEOTLFQBIB-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.24
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 9089274) has the molecular formula C17H14ClN3O2S2 and a molecular weight of 391.91 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID9089274
Molecular FormulaC17H14ClN3O2S2
Molecular Weight391.91 g/mol
Exact Mass391.02
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C17H14ClN3O2S2/c1-21(8-15(22)19-13-4-2-12(18)3-5-13)17(23)14-10-25-16(20-14)11-6-7-24-9-11/h2-7,9-10H,8H2,1H3,(H,19,22)
InChIKeyXNAMGEOTLFQBIB-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-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

2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18090221
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8530363
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 9417366
2-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55388630
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38226165
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 9089274) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XNAMGEOTLFQBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S2/c1-21(8-15(22)19-13-4-2-12(18)3-5-13)17(23)14-10-25-16(20-14)11-6-7-24-9-11/h2-7,9-10H,8H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 391.91 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9089274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).