N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H19Cl2N5OS — CID 120922512

IUPACN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2cccc(Cl)c2)cs1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H18ClN5OS.ClH/c19-14-4-1-3-13(11-14)15-12-26-17(22-15)23-16(25)18(5-8-20-9-6-18)24-10-2-7-21-24;/h1-4,7,10-12,20H,5-6,8-9H2,(H,22,23,25);1H
InChIKeyIXWZQFGQKQZCDY-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120922512) has the molecular formula C18H19Cl2N5OS and a molecular weight of 424.36 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120922512
Molecular FormulaC18H19Cl2N5OS
Molecular Weight424.36 g/mol
Exact Mass423.07
IUPAC NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc(-c2cccc(Cl)c2)cs1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H18ClN5OS.ClH/c19-14-4-1-3-13(11-14)15-12-26-17(22-15)23-16(25)18(5-8-20-9-6-18)24-10-2-7-21-24;/h1-4,7,10-12,20H,5-6,8-9H2,(H,22,23,25);1H
InChIKeyIXWZQFGQKQZCDY-UHFFFAOYSA-N
XLogP3.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride 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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926643
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120922512) is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1nc(-c2cccc(Cl)c2)cs1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IXWZQFGQKQZCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS.ClH/c19-14-4-1-3-13(11-14)15-12-26-17(22-15)23-16(25)18(5-8-20-9-6-18)24-10-2-7-21-24;/h1-4,7,10-12,20H,5-6,8-9H2,(H,22,23,25);1H.
What are the key properties of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 424.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).