2H-thieno[2,3-c][1]benzazepine

C12H9NS — CID 154447875

IUPAC2H-thieno[2,3-c][1]benzazepine
SMILESC1=C2C=c3ccccc3=NC=C2SC1
InChIInChI=1S/C12H9NS/c1-2-4-11-9(3-1)7-10-5-6-14-12(10)8-13-11/h1-5,7-8H,6H2
InChIKeyLKTDIBUTGSJPQI-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.61
Rot. Bonds

About 2H-thieno[2,3-c][1]benzazepine

2H-thieno[2,3-c][1]benzazepine (PubChem CID 154447875) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2H-thieno[2,3-c][1]benzazepine.

Molecular Properties

Compound Name2H-thieno[2,3-c][1]benzazepine
PubChem CID154447875
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2H-thieno[2,3-c][1]benzazepine
SMILESC1=C2C=c3ccccc3=NC=C2SC1
InChIInChI=1S/C12H9NS/c1-2-4-11-9(3-1)7-10-5-6-14-12(10)8-13-11/h1-5,7-8H,6H2
InChIKeyLKTDIBUTGSJPQI-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo[b]thieno[2,3-c]pyridine
CID 19960921
4,1-Benzothiazepine
CID 23290975
Thiopyranoindole
CID 86746699
Thienobenzazepin
CID 88798857
Pyrrolobenzo[d]thiepine
CID 129739582
8-Methylbenzo[b]thieno[2,3-c]-pyridine
CID 129797974
Tetrahydrobenzo[b]thieno[3,2-d]azocine
CID 129871501
3,4-dihydro-2H-2,5-benzothiazepine hydrobromide
CID 19810499
2,3-Dihydro-4,1-benzothiazepine
CID 19810500
2H-thieno[3,2-d]quinoline;hydrobromide
CID 21162133
[1,4]Thiazino[3,2-b]carbazole
CID 21887312
[1,4]Thiazino[2,3-a]carbazole
CID 21888125

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-c][1]benzazepine?
The IUPAC name of 2H-thieno[2,3-c][1]benzazepine (CID 154447875) is 2H-thieno[2,3-c][1]benzazepine.
What is the SMILES notation for 2H-thieno[2,3-c][1]benzazepine?
The canonical SMILES for 2H-thieno[2,3-c][1]benzazepine is C1=C2C=c3ccccc3=NC=C2SC1.
What is the InChIKey of 2H-thieno[2,3-c][1]benzazepine?
The InChIKey is LKTDIBUTGSJPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-4-11-9(3-1)7-10-5-6-14-12(10)8-13-11/h1-5,7-8H,6H2.
What are the key properties of 2H-thieno[2,3-c][1]benzazepine?
2H-thieno[2,3-c][1]benzazepine has a molecular weight of 199.28 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-c][1]benzazepine is sourced from PubChem (CID 154447875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).