2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H19Cl2N3OS — CID 120554755

IUPAC2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1csc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C16H18ClN3OS.ClH/c1-10-8-18-7-6-13(10)19-15(21)14-9-22-16(20-14)11-4-2-3-5-12(11)17;/h2-5,9-10,13,18H,6-8H2,1H3,(H,19,21);1H
InChIKeyJIUYZQNXJCOXKS-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120554755) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120554755
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC Name2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1csc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C16H18ClN3OS.ClH/c1-10-8-18-7-6-13(10)19-15(21)14-9-22-16(20-14)11-4-2-3-5-12(11)17;/h2-5,9-10,13,18H,6-8H2,1H3,(H,19,21);1H
InChIKeyJIUYZQNXJCOXKS-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120557885
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119456733
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119456734
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 120556285
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120555044

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120554755) is 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1csc(-c2ccccc2Cl)n1.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is JIUYZQNXJCOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS.ClH/c1-10-8-18-7-6-13(10)19-15(21)14-9-22-16(20-14)11-4-2-3-5-12(11)17;/h2-5,9-10,13,18H,6-8H2,1H3,(H,19,21);1H.
What are the key properties of 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 372.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120554755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).