4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine

C19H16N4OS — CID 117087678

IUPAC4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccccc2)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C19H16N4OS/c1-24-19-22-17(15-12-25-16-10-6-5-9-14(15)16)21-18(23-19)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21,22,23)
InChIKeyGLPKUKLRMMACIU-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine

4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 117087678) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID117087678
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccccc2)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C19H16N4OS/c1-24-19-22-17(15-12-25-16-10-6-5-9-14(15)16)21-18(23-19)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21,22,23)
InChIKeyGLPKUKLRMMACIU-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine (CID 117087678) is 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCc2ccccc2)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is GLPKUKLRMMACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-19-22-17(15-12-25-16-10-6-5-9-14(15)16)21-18(23-19)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21,22,23).
What are the key properties of 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine?
4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 117087678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).