3H-thieno[3,4-d]azepine

C8H7NS — CID 67753477

IUPAC3H-thieno[3,4-d]azepine
SMILESC1=CC2=CSCC2=CC=N1
InChIInChI=1S/C8H7NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-5H,6H2
InChIKeyWEBPJVWXWOLGLE-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.14
Rot. Bonds

About 3H-thieno[3,4-d]azepine

3H-thieno[3,4-d]azepine (PubChem CID 67753477) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 3H-thieno[3,4-d]azepine.

Molecular Properties

Compound Name3H-thieno[3,4-d]azepine
PubChem CID67753477
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name3H-thieno[3,4-d]azepine
SMILESC1=CC2=CSCC2=CC=N1
InChIInChI=1S/C8H7NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-5H,6H2
InChIKeyWEBPJVWXWOLGLE-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(Cyclohexen-1-yl)-1,4-thiazepine
CID 68637312
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
5H-thieno[2,3-c]azepine
CID 90974805
5H-thiepino[4,5-b]pyrrole
CID 137358027
3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
6-Ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722119
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
6-Thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3,7,9,11,13-hexaene
CID 139785585

Frequently Asked Questions

What is the IUPAC name of 3H-thieno[3,4-d]azepine?
The IUPAC name of 3H-thieno[3,4-d]azepine (CID 67753477) is 3H-thieno[3,4-d]azepine.
What is the SMILES notation for 3H-thieno[3,4-d]azepine?
The canonical SMILES for 3H-thieno[3,4-d]azepine is C1=CC2=CSCC2=CC=N1.
What is the InChIKey of 3H-thieno[3,4-d]azepine?
The InChIKey is WEBPJVWXWOLGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-5H,6H2.
What are the key properties of 3H-thieno[3,4-d]azepine?
3H-thieno[3,4-d]azepine has a molecular weight of 149.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thieno[3,4-d]azepine is sourced from PubChem (CID 67753477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).