3-benzyl-4,6-dihydrothieno[2,3-b]indole

C17H15NS — CID 87127645

IUPAC3-benzyl-4,6-dihydrothieno[2,3-b]indole
SMILESC1=Cc2c3c([nH]c2=CC1)=S(Cc1ccccc1)C=C3
InChIInChI=1S/C17H15NS/c1-2-6-13(7-3-1)12-19-11-10-15-14-8-4-5-9-16(14)18-17(15)19/h1-4,6-11,18H,5,12H2
InChIKeySECNLOPJRBZXJZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.92
Rot. Bonds2

About 3-benzyl-4,6-dihydrothieno[2,3-b]indole

3-benzyl-4,6-dihydrothieno[2,3-b]indole (PubChem CID 87127645) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-benzyl-4,6-dihydrothieno[2,3-b]indole.

Molecular Properties

Compound Name3-benzyl-4,6-dihydrothieno[2,3-b]indole
PubChem CID87127645
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name3-benzyl-4,6-dihydrothieno[2,3-b]indole
SMILESC1=Cc2c3c([nH]c2=CC1)=S(Cc1ccccc1)C=C3
InChIInChI=1S/C17H15NS/c1-2-6-13(7-3-1)12-19-11-10-15-14-8-4-5-9-16(14)18-17(15)19/h1-4,6-11,18H,5,12H2
InChIKeySECNLOPJRBZXJZ-UHFFFAOYSA-N
XLogP3.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-benzyl-4,6-dihydrothieno[2,3-b]indole 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 3-benzyl-4,6-dihydrothieno[2,3-b]indole?
The IUPAC name of 3-benzyl-4,6-dihydrothieno[2,3-b]indole (CID 87127645) is 3-benzyl-4,6-dihydrothieno[2,3-b]indole.
What is the SMILES notation for 3-benzyl-4,6-dihydrothieno[2,3-b]indole?
The canonical SMILES for 3-benzyl-4,6-dihydrothieno[2,3-b]indole is C1=Cc2c3c([nH]c2=CC1)=S(Cc1ccccc1)C=C3.
What is the InChIKey of 3-benzyl-4,6-dihydrothieno[2,3-b]indole?
The InChIKey is SECNLOPJRBZXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-6-13(7-3-1)12-19-11-10-15-14-8-4-5-9-16(14)18-17(15)19/h1-4,6-11,18H,5,12H2.
What are the key properties of 3-benzyl-4,6-dihydrothieno[2,3-b]indole?
3-benzyl-4,6-dihydrothieno[2,3-b]indole has a molecular weight of 265.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,6-dihydrothieno[2,3-b]indole is sourced from PubChem (CID 87127645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).