5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C17H20N6OS — CID 119679553

IUPAC5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nnn(C4CCNCC4)c3C)nc12
InChIInChI=1S/C17H20N6OS/c1-10-4-3-5-13-14(10)19-17(25-13)20-16(24)15-11(2)23(22-21-15)12-6-8-18-9-7-12/h3-5,12,18H,6-9H2,1-2H3,(H,19,20,24)
InChIKeyGHYKCWBJXVJLEW-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.68
Rot. Bonds3

About 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119679553) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119679553
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3nnn(C4CCNCC4)c3C)nc12
InChIInChI=1S/C17H20N6OS/c1-10-4-3-5-13-14(10)19-17(25-13)20-16(24)15-11(2)23(22-21-15)12-6-8-18-9-7-12/h3-5,12,18H,6-9H2,1-2H3,(H,19,20,24)
InChIKeyGHYKCWBJXVJLEW-UHFFFAOYSA-N
XLogP2.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669334
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119675974
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679486
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
5-methyl-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 102553434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119679553) is 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1cccc2sc(NC(=O)c3nnn(C4CCNCC4)c3C)nc12.
What is the InChIKey of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GHYKCWBJXVJLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10-4-3-5-13-14(10)19-17(25-13)20-16(24)15-11(2)23(22-21-15)12-6-8-18-9-7-12/h3-5,12,18H,6-9H2,1-2H3,(H,19,20,24).
What are the key properties of 5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.68, 3 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-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119679553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).