4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide

C18H19Cl2N3O2S — CID 1463083

IUPAC4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-11-5-4-8-13(9-11)23(10-14(24)21-12-6-2-3-7-12)18(25)16-15(19)17(20)26-22-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,21,24)
InChIKeyHGJNAAWVWIXSTK-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.46
Rot. Bonds5

About 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1463083) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID1463083
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2S/c1-11-5-4-8-13(9-11)23(10-14(24)21-12-6-2-3-7-12)18(25)16-15(19)17(20)26-22-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,21,24)
InChIKeyHGJNAAWVWIXSTK-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-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

4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3831172
4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
CID 3197124
4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide
CID 3197142
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3691071
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide (CID 1463083) is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide is Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1.
What is the InChIKey of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is HGJNAAWVWIXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-11-5-4-8-13(9-11)23(10-14(24)21-12-6-2-3-7-12)18(25)16-15(19)17(20)26-22-16/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,21,24).
What are the key properties of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 412.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1463083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).