N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

C16H20N8OS — CID 120643857

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1cn(Cc2cccs2)nn1
InChIInChI=1S/C16H20N8OS/c1-23-16(18-14(21-23)11-4-6-17-7-5-11)19-15(25)13-10-24(22-20-13)9-12-3-2-8-26-12/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,18,19,21,25)
InChIKeyRVPYDKCEPMFOHV-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.24
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 120643857) has the molecular formula C16H20N8OS and a molecular weight of 372.46 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID120643857
Molecular FormulaC16H20N8OS
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1cn(Cc2cccs2)nn1
InChIInChI=1S/C16H20N8OS/c1-23-16(18-14(21-23)11-4-6-17-7-5-11)19-15(25)13-10-24(22-20-13)9-12-3-2-8-26-12/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,18,19,21,25)
InChIKeyRVPYDKCEPMFOHV-UHFFFAOYSA-N
XLogP1.24
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)triazole-4-carboxamide;hydrochloride
CID 120643638
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-thiophen-2-ylbutanamide;hydrochloride
CID 120642605
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120644545
2-(2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120643916
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120645092
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120644546
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120643848
3-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120641981

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 120643857) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)c1cn(Cc2cccs2)nn1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is RVPYDKCEPMFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8OS/c1-23-16(18-14(21-23)11-4-6-17-7-5-11)19-15(25)13-10-24(22-20-13)9-12-3-2-8-26-12/h2-3,8,10-11,17H,4-7,9H2,1H3,(H,18,19,21,25).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 120643857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).