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

C19H22N6OS — CID 119759332

IUPAC5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cc2)n1
InChIInChI=1S/C19H22N6OS/c1-12-11-27-19(21-12)14-3-5-15(6-4-14)22-18(26)17-13(2)25(24-23-17)16-7-9-20-10-8-16/h3-6,11,16,20H,7-10H2,1-2H3,(H,22,26)
InChIKeySJRRVQZPRQLOGY-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.20
Rot. Bonds4

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

5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119759332) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119759332
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cc2)n1
InChIInChI=1S/C19H22N6OS/c1-12-11-27-19(21-12)14-3-5-15(6-4-14)22-18(26)17-13(2)25(24-23-17)16-7-9-20-10-8-16/h3-6,11,16,20H,7-10H2,1-2H3,(H,22,26)
InChIKeySJRRVQZPRQLOGY-UHFFFAOYSA-N
XLogP3.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119858719
5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119832019
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818788
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119759332) is 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1csc(-c2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cc2)n1.
What is the InChIKey of 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is SJRRVQZPRQLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12-11-27-19(21-12)14-3-5-15(6-4-14)22-18(26)17-13(2)25(24-23-17)16-7-9-20-10-8-16/h3-6,11,16,20H,7-10H2,1-2H3,(H,22,26).
What are the key properties of 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119759332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).