N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide

C15H22N6OS — CID 56718627

IUPACN-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(c3nccs3)CC2)nn1
InChIInChI=1S/C15H22N6OS/c1-11(2)9-17-14(22)13-10-21(19-18-13)12-3-6-20(7-4-12)15-16-5-8-23-15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyZQPNNCIAXCUUAE-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.96
Rot. Bonds5

About N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide

N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56718627) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56718627
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn(C2CCN(c3nccs3)CC2)nn1
InChIInChI=1S/C15H22N6OS/c1-11(2)9-17-14(22)13-10-21(19-18-13)12-3-6-20(7-4-12)15-16-5-8-23-15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,17,22)
InChIKeyZQPNNCIAXCUUAE-UHFFFAOYSA-N
XLogP1.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide (CID 56718627) is N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide is CC(C)CNC(=O)c1cn(C2CCN(c3nccs3)CC2)nn1.
What is the InChIKey of N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is ZQPNNCIAXCUUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11(2)9-17-14(22)13-10-21(19-18-13)12-3-6-20(7-4-12)15-16-5-8-23-15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,17,22).
What are the key properties of N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide?
N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56718627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).