2H-thieno[3,2-i][3]benzazepine

C12H9NS — CID 140968436

IUPAC2H-thieno[3,2-i][3]benzazepine
SMILESC1=Cc2c3c(ccc2=CC=N1)=CCS3
InChIInChI=1S/C12H9NS/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-7H,8H2
InChIKeyPWKZZOIOUOLALQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.41
Rot. Bonds

About 2H-thieno[3,2-i][3]benzazepine

2H-thieno[3,2-i][3]benzazepine (PubChem CID 140968436) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2H-thieno[3,2-i][3]benzazepine.

Molecular Properties

Compound Name2H-thieno[3,2-i][3]benzazepine
PubChem CID140968436
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2H-thieno[3,2-i][3]benzazepine
SMILESC1=Cc2c3c(ccc2=CC=N1)=CCS3
InChIInChI=1S/C12H9NS/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-7H,8H2
InChIKeyPWKZZOIOUOLALQ-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-thieno[3,2-i][3]benzazepine 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

Thienobenzazepin
CID 88798857
Pyrrolobenzo[d]thiepine
CID 129739582
Thieno[3',2':5,6]pyrido[3,2-b]azepine
CID 155803293
3,8-dihydro-1H-thieno[3,4-d]azepine
CID 57099393
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2-(Cyclohexen-1-yl)-1,4-thiazepine
CID 68637312
9H-thieno[2,3-i][1,5]benzodiazepine
CID 68945229
2H-pyrrolo[2,3-i][1,5]benzothiazepine
CID 70122398
2H-thieno[3,2-c]azepine
CID 70463907
6-Thia-11-azatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 87987409

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[3,2-i][3]benzazepine?
The IUPAC name of 2H-thieno[3,2-i][3]benzazepine (CID 140968436) is 2H-thieno[3,2-i][3]benzazepine.
What is the SMILES notation for 2H-thieno[3,2-i][3]benzazepine?
The canonical SMILES for 2H-thieno[3,2-i][3]benzazepine is C1=Cc2c3c(ccc2=CC=N1)=CCS3.
What is the InChIKey of 2H-thieno[3,2-i][3]benzazepine?
The InChIKey is PWKZZOIOUOLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-7H,8H2.
What are the key properties of 2H-thieno[3,2-i][3]benzazepine?
2H-thieno[3,2-i][3]benzazepine has a molecular weight of 199.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[3,2-i][3]benzazepine is sourced from PubChem (CID 140968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).