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

C8H7NS — CID 70463907

IUPAC2H-thieno[3,2-c]azepine
SMILESC1=CN=CC2=CCSC2=C1
InChIInChI=1S/C8H7NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-4,6H,5H2
InChIKeyQYGUWBUPNJVLDS-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.14
Rot. Bonds

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

2H-thieno[3,2-c]azepine (PubChem CID 70463907) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 2H-thieno[3,2-c]azepine.

Molecular Properties

Compound Name2H-thieno[3,2-c]azepine
PubChem CID70463907
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name2H-thieno[3,2-c]azepine
SMILESC1=CN=CC2=CCSC2=C1
InChIInChI=1S/C8H7NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-4,6H,5H2
InChIKeyQYGUWBUPNJVLDS-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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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[3,2-c]azepine?
The IUPAC name of 2H-thieno[3,2-c]azepine (CID 70463907) is 2H-thieno[3,2-c]azepine.
What is the SMILES notation for 2H-thieno[3,2-c]azepine?
The canonical SMILES for 2H-thieno[3,2-c]azepine is C1=CN=CC2=CCSC2=C1.
What is the InChIKey of 2H-thieno[3,2-c]azepine?
The InChIKey is QYGUWBUPNJVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-8-7(3-5-10-8)6-9-4-1/h1-4,6H,5H2.
What are the key properties of 2H-thieno[3,2-c]azepine?
2H-thieno[3,2-c]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 2H-thieno[3,2-c]azepine is sourced from PubChem (CID 70463907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).