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

C20H24N6OS — CID 119772189

IUPAC5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-17(28-20(23-13)15-6-4-3-5-7-15)12-22-19(27)18-14(2)26(25-24-18)16-8-10-21-11-9-16/h3-7,16,21H,8-12H2,1-2H3,(H,22,27)
InChIKeyZXNCLUOURSEGRN-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.87
Rot. Bonds5

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

5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119772189) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119772189
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-17(28-20(23-13)15-6-4-3-5-7-15)12-22-19(27)18-14(2)26(25-24-18)16-8-10-21-11-9-16/h3-7,16,21H,8-12H2,1-2H3,(H,22,27)
InChIKeyZXNCLUOURSEGRN-UHFFFAOYSA-N
XLogP2.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782264
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718313
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119772189) is 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ZXNCLUOURSEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-17(28-20(23-13)15-6-4-3-5-7-15)12-22-19(27)18-14(2)26(25-24-18)16-8-10-21-11-9-16/h3-7,16,21H,8-12H2,1-2H3,(H,22,27).
What are the key properties of 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119772189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).