1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine

C18H15NS — CID 79876412

IUPAC1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine
SMILESNc1ccc2c(c1)CCC2=Cc1csc2ccccc12
InChIInChI=1S/C18H15NS/c19-15-7-8-16-12(5-6-13(16)10-15)9-14-11-20-18-4-2-1-3-17(14)18/h1-4,7-11H,5-6,19H2
InChIKeyMQHKZYLSOQQKDX-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.97
Rot. Bonds1

About 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine

1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine (PubChem CID 79876412) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine
PubChem CID79876412
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine
SMILESNc1ccc2c(c1)CCC2=Cc1csc2ccccc12
InChIInChI=1S/C18H15NS/c19-15-7-8-16-12(5-6-13(16)10-15)9-14-11-20-18-4-2-1-3-17(14)18/h1-4,7-11H,5-6,19H2
InChIKeyMQHKZYLSOQQKDX-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-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 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine (CID 79876412) is 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine is Nc1ccc2c(c1)CCC2=Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine?
The InChIKey is MQHKZYLSOQQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c19-15-7-8-16-12(5-6-13(16)10-15)9-14-11-20-18-4-2-1-3-17(14)18/h1-4,7-11H,5-6,19H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine?
1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine has a molecular weight of 277.39 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethylidene)-2,3-dihydroinden-5-amine is sourced from PubChem (CID 79876412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).