N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C21H20N4S — CID 124815871

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(Cn2nc(CNCc3cccs3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4S/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-13,22H,14-16H2
InChIKeyMZDMIZFGCFIIDT-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.34
Rot. Bonds7

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 124815871) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID124815871
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(Cn2nc(CNCc3cccs3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N4S/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-13,22H,14-16H2
InChIKeyMZDMIZFGCFIIDT-UHFFFAOYSA-N
XLogP4.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124895280
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124814533
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161
(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
CID 124785919
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
4-amino-N-[2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 125115170

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 124815871) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is c1ccc(Cn2nc(CNCc3cccs3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is MZDMIZFGCFIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-3-8-17(9-4-1)16-25-23-20(15-22-14-19-12-7-13-26-19)21(24-25)18-10-5-2-6-11-18/h1-13,22H,14-16H2.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 360.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 124815871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).