5H-thieno[2,3-c]azepine

C8H7NS — CID 90974805

IUPAC5H-thieno[2,3-c]azepine
SMILESC1=NC=c2sccc2=CC1
InChIInChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6H,1H2
InChIKeyXPSLWHPUCDMYCF-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.74
Rot. Bonds

About 5H-thieno[2,3-c]azepine

5H-thieno[2,3-c]azepine (PubChem CID 90974805) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 5H-thieno[2,3-c]azepine.

Molecular Properties

Compound Name5H-thieno[2,3-c]azepine
PubChem CID90974805
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name5H-thieno[2,3-c]azepine
SMILESC1=NC=c2sccc2=CC1
InChIInChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6H,1H2
InChIKeyXPSLWHPUCDMYCF-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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
3H-thieno[3,4-d]azepine
CID 67753477
2H-thieno[3,2-c]azepine
CID 70463907
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
2H-thieno[2,3-d]azepine 1-oxide
CID 139981179
Thiopyrano[2,3-c]azepine
CID 141202666
6-(1-ethenylsulfanylethenyl)-4H-azepine
CID 143076341

Frequently Asked Questions

What is the IUPAC name of 5H-thieno[2,3-c]azepine?
The IUPAC name of 5H-thieno[2,3-c]azepine (CID 90974805) is 5H-thieno[2,3-c]azepine.
What is the SMILES notation for 5H-thieno[2,3-c]azepine?
The canonical SMILES for 5H-thieno[2,3-c]azepine is C1=NC=c2sccc2=CC1.
What is the InChIKey of 5H-thieno[2,3-c]azepine?
The InChIKey is XPSLWHPUCDMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h2-6H,1H2.
What are the key properties of 5H-thieno[2,3-c]azepine?
5H-thieno[2,3-c]azepine has a molecular weight of 149.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[2,3-c]azepine is sourced from PubChem (CID 90974805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).