5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H23ClN6OS — CID 119757925

IUPAC5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccccc2)c2nccs2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H22N6OS.ClH/c1-13-16(23-24-25(13)15-7-9-20-10-8-15)18(26)22-17(19-21-11-12-27-19)14-5-3-2-4-6-14;/h2-6,11-12,15,17,20H,7-10H2,1H3,(H,22,26);1H
InChIKeyJBRIAKXTVQBLJT-UHFFFAOYSA-N
MW418.95 g/mol
LogP2.91
Rot. Bonds5

About 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119757925) has the molecular formula C19H23ClN6OS and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119757925
Molecular FormulaC19H23ClN6OS
Molecular Weight418.95 g/mol
Exact Mass418.13
IUPAC Name5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccccc2)c2nccs2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H22N6OS.ClH/c1-13-16(23-24-25(13)15-7-9-20-10-8-15)18(26)22-17(19-21-11-12-27-19)14-5-3-2-4-6-14;/h2-6,11-12,15,17,20H,7-10H2,1H3,(H,22,26);1H
InChIKeyJBRIAKXTVQBLJT-UHFFFAOYSA-N
XLogP2.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119804034

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119757925) is 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(c2ccccc2)c2nccs2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JBRIAKXTVQBLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS.ClH/c1-13-16(23-24-25(13)15-7-9-20-10-8-15)18(26)22-17(19-21-11-12-27-19)14-5-3-2-4-6-14;/h2-6,11-12,15,17,20H,7-10H2,1H3,(H,22,26);1H.
What are the key properties of 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119757925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).