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

C13H18N6OS — CID 119673371

IUPAC5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nnn(C3CCNCC3)c2C)n1
InChIInChI=1S/C13H18N6OS/c1-8-7-21-13(15-8)16-12(20)11-9(2)19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20)
InChIKeyXLVUIDJTEFJKQL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.53
Rot. Bonds3

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

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119673371) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119673371
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nnn(C3CCNCC3)c2C)n1
InChIInChI=1S/C13H18N6OS/c1-8-7-21-13(15-8)16-12(20)11-9(2)19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20)
InChIKeyXLVUIDJTEFJKQL-UHFFFAOYSA-N
XLogP1.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119759332
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119858719
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119675974
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119679553
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
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-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119719869
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119673371) is 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1csc(NC(=O)c2nnn(C3CCNCC3)c2C)n1.
What is the InChIKey of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XLVUIDJTEFJKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-8-7-21-13(15-8)16-12(20)11-9(2)19(18-17-11)10-3-5-14-6-4-10/h7,10,14H,3-6H2,1-2H3,(H,15,16,20).
What are the key properties of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.53, 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-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).