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

C13H19N7OS — CID 119675974

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1
InChIInChI=1S/C13H19N7OS/c1-3-10-16-18-13(22-10)15-12(21)11-8(2)20(19-17-11)9-4-6-14-7-5-9/h9,14H,3-7H2,1-2H3,(H,15,18,21)
InChIKeyPLRBRXDBRUCSAM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.18
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119675974) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119675974
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1
InChIInChI=1S/C13H19N7OS/c1-3-10-16-18-13(22-10)15-12(21)11-8(2)20(19-17-11)9-4-6-14-7-5-9/h9,14H,3-7H2,1-2H3,(H,15,18,21)
InChIKeyPLRBRXDBRUCSAM-UHFFFAOYSA-N
XLogP1.18
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
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
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119675974) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCc1nnc(NC(=O)c2nnn(C3CCNCC3)c2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PLRBRXDBRUCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-3-10-16-18-13(22-10)15-12(21)11-8(2)20(19-17-11)9-4-6-14-7-5-9/h9,14H,3-7H2,1-2H3,(H,15,18,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119675974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).