2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C19H23ClN6OS — CID 120643916

IUPAC2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1.Cl
InChIInChI=1S/C19H22N6OS.ClH/c1-12-5-3-4-6-14(12)18-21-15(11-27-18)17(26)23-19-22-16(24-25(19)2)13-7-9-20-10-8-13;/h3-6,11,13,20H,7-10H2,1-2H3,(H,22,23,24,26);1H
InChIKeyGVAWICZOZLCUER-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120643916) has the molecular formula C19H23ClN6OS and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120643916
Molecular FormulaC19H23ClN6OS
Molecular Weight418.95 g/mol
Exact Mass418.13
IUPAC Name2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-c1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1.Cl
InChIInChI=1S/C19H22N6OS.ClH/c1-12-5-3-4-6-14(12)18-21-15(11-27-18)17(26)23-19-22-16(24-25(19)2)13-7-9-20-10-8-13;/h3-6,11,13,20H,7-10H2,1-2H3,(H,22,23,24,26);1H
InChIKeyGVAWICZOZLCUER-UHFFFAOYSA-N
XLogP3.39
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120644545
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120645092
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120642030
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120643916) is 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccccc1-c1nc(C(=O)Nc2nc(C3CCNCC3)nn2C)cs1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GVAWICZOZLCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS.ClH/c1-12-5-3-4-6-14(12)18-21-15(11-27-18)17(26)23-19-22-16(24-25(19)2)13-7-9-20-10-8-13;/h3-6,11,13,20H,7-10H2,1-2H3,(H,22,23,24,26);1H.
What are the key properties of 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120643916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).