5,10-dihydro-4H-thieno[3,2-b][1]benzazepine

C12H11NS — CID 12703655

IUPAC5,10-dihydro-4H-thieno[3,2-b][1]benzazepine
SMILESc1ccc2c(c1)CCc1sccc1N2
InChIInChI=1S/C12H11NS/c1-2-4-10-9(3-1)5-6-12-11(13-10)7-8-14-12/h1-4,7-8,13H,5-6H2
InChIKeyBBIIPDYZRSNJAM-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.59
Rot. Bonds

About 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine

5,10-dihydro-4H-thieno[3,2-b][1]benzazepine (PubChem CID 12703655) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine.

Molecular Properties

Compound Name5,10-dihydro-4H-thieno[3,2-b][1]benzazepine
PubChem CID12703655
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name5,10-dihydro-4H-thieno[3,2-b][1]benzazepine
SMILESc1ccc2c(c1)CCc1sccc1N2
InChIInChI=1S/C12H11NS/c1-2-4-10-9(3-1)5-6-12-11(13-10)7-8-14-12/h1-4,7-8,13H,5-6H2
InChIKeyBBIIPDYZRSNJAM-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine?
The IUPAC name of 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine (CID 12703655) is 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine.
What is the SMILES notation for 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine?
The canonical SMILES for 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine is c1ccc2c(c1)CCc1sccc1N2.
What is the InChIKey of 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine?
The InChIKey is BBIIPDYZRSNJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-4-10-9(3-1)5-6-12-11(13-10)7-8-14-12/h1-4,7-8,13H,5-6H2.
What are the key properties of 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine?
5,10-dihydro-4H-thieno[3,2-b][1]benzazepine has a molecular weight of 201.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-4H-thieno[3,2-b][1]benzazepine is sourced from PubChem (CID 12703655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).