2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C18H22ClN3O3S2 — CID 46455913

IUPAC2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H22ClN3O3S2/c1-2-11-27(24,25)22-9-7-15(8-10-22)20-17(23)16-12-26-18(21-16)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,23)
InChIKeyZOWIDTJYTNUSRE-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46455913) has the molecular formula C18H22ClN3O3S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID46455913
Molecular FormulaC18H22ClN3O3S2
Molecular Weight427.98 g/mol
Exact Mass427.08
IUPAC Name2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H22ClN3O3S2/c1-2-11-27(24,25)22-9-7-15(8-10-22)20-17(23)16-12-26-18(21-16)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,23)
InChIKeyZOWIDTJYTNUSRE-UHFFFAOYSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-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-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 46455913) is 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZOWIDTJYTNUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S2/c1-2-11-27(24,25)22-9-7-15(8-10-22)20-17(23)16-12-26-18(21-16)13-3-5-14(19)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,20,23).
What are the key properties of 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46455913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).