N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide

C21H26N4O2S — CID 53158433

IUPACN-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3csc(C(=O)NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-6-8-17(9-7-15)24-10-12-25(13-11-24)21(27)18-14-28-20(23-18)19(26)22-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,26)
InChIKeyOKFHMKUUESPACN-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.09
Rot. Bonds4

About N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide

N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 53158433) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID53158433
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3csc(C(=O)NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-15-6-8-17(9-7-15)24-10-12-25(13-11-24)21(27)18-14-28-20(23-18)19(26)22-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,26)
InChIKeyOKFHMKUUESPACN-UHFFFAOYSA-N
XLogP3.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-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-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 53158464
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893005
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 53158433) is N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide is Cc1ccc(N2CCN(C(=O)c3csc(C(=O)NC4CCCC4)n3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is OKFHMKUUESPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-6-8-17(9-7-15)24-10-12-25(13-11-24)21(27)18-14-28-20(23-18)19(26)22-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,22,26).
What are the key properties of N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide?
N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53158433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).