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

C12H9NS — CID 140643697

IUPAC2H-thieno[2,3-g][1]benzazepine
SMILESC1=CN=c2ccc3c(c2C=C1)SCC=3
InChIInChI=1S/C12H9NS/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-7H,8H2
InChIKeyPOROPQPSBSNQRX-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.73
Rot. Bonds

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

2H-thieno[2,3-g][1]benzazepine (PubChem CID 140643697) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2H-thieno[2,3-g][1]benzazepine.

Molecular Properties

Compound Name2H-thieno[2,3-g][1]benzazepine
PubChem CID140643697
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2H-thieno[2,3-g][1]benzazepine
SMILESC1=CN=c2ccc3c(c2C=C1)SCC=3
InChIInChI=1S/C12H9NS/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-7H,8H2
InChIKeyPOROPQPSBSNQRX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo[b]thieno[2,3-c]pyridine
CID 19960921
Indolobenzo[b]thiophene
CID 21887850
4,1-Benzothiazepine
CID 23290975
2h-Pyrrolo[2,3-g]benzothiazole
CID 45077546
Thiopyranoindole
CID 86746699
Thienobenzazepin
CID 88798857
Pyrrolobenzo[d]thiepine
CID 129739582
2,3-Dihydrothiopyrano[3,2-b]indole
CID 129790528
8-Methyl-2,3-dihydrothiopyrano [3,2-b]indole
CID 129790774
8-Methylbenzo[b]thieno[2,3-c]-pyridine
CID 129797974
Pyrrolo-1,3-benzothiazine
CID 129842611
Tetrahydrobenzo[b]thieno[3,2-d]azocine
CID 129871501

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-g][1]benzazepine?
The IUPAC name of 2H-thieno[2,3-g][1]benzazepine (CID 140643697) is 2H-thieno[2,3-g][1]benzazepine.
What is the SMILES notation for 2H-thieno[2,3-g][1]benzazepine?
The canonical SMILES for 2H-thieno[2,3-g][1]benzazepine is C1=CN=c2ccc3c(c2C=C1)SCC=3.
What is the InChIKey of 2H-thieno[2,3-g][1]benzazepine?
The InChIKey is POROPQPSBSNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-7-13-11-5-4-9-6-8-14-12(9)10(11)3-1/h1-7H,8H2.
What are the key properties of 2H-thieno[2,3-g][1]benzazepine?
2H-thieno[2,3-g][1]benzazepine has a molecular weight of 199.28 g/mol, XLogP of 1.73, 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-g][1]benzazepine is sourced from PubChem (CID 140643697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).