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

C17H22ClN3OS — CID 120598681

IUPAC2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nc(C(=O)NC2CCNC(C)C2)cs1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-11-5-3-4-6-14(11)17-20-15(10-22-17)16(21)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,21);1H
InChIKeyVAGBSKXZDJHSTN-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.41
Rot. Bonds3

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

2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120598681) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120598681
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nc(C(=O)NC2CCNC(C)C2)cs1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-11-5-3-4-6-14(11)17-20-15(10-22-17)16(21)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,21);1H
InChIKeyVAGBSKXZDJHSTN-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120602125
N-(2-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120602389
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86883809
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
3-methyl-N-(2-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 106995373
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119456733
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
N-(2-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 120598684
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119456734

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120598681) is 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccccc1-c1nc(C(=O)NC2CCNC(C)C2)cs1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VAGBSKXZDJHSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c1-11-5-3-4-6-14(11)17-20-15(10-22-17)16(21)19-13-7-8-18-12(2)9-13;/h3-6,10,12-13,18H,7-9H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120598681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).