1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C17H17ClN4O3S — CID 16915175

IUPAC1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24)
InChIKeyNPTRMHGPASOKCG-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 16915175) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID16915175
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24)
InChIKeyNPTRMHGPASOKCG-UHFFFAOYSA-N
XLogP2.39
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-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

1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
CID 150905249
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 1096741
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 16915175) is 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is NPTRMHGPASOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 392.87 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 16915175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).