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

C15H16N4OS — CID 117087517

IUPAC4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H16N4OS/c1-3-8-16-14-17-13(18-15(19-14)20-2)11-9-21-12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyDKJYFZXOTYYPOE-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.58
Rot. Bonds5

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

4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 117087517) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID117087517
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H16N4OS/c1-3-8-16-14-17-13(18-15(19-14)20-2)11-9-21-12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyDKJYFZXOTYYPOE-UHFFFAOYSA-N
XLogP3.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-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)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 117087517) is 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is DKJYFZXOTYYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-8-16-14-17-13(18-15(19-14)20-2)11-9-21-12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.58, 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)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 117087517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).