5,6-dimethyl-5H-thieno[2,3-b]azepine

C10H11NS — CID 123293227

IUPAC5,6-dimethyl-5H-thieno[2,3-b]azepine
SMILESCC1=CN=c2sccc2=CC1C
InChIInChI=1S/C10H11NS/c1-7-5-9-3-4-12-10(9)11-6-8(7)2/h3-7H,1-2H3
InChIKeyLFCDIIAZGJFWNB-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.70
Rot. Bonds

About 5,6-dimethyl-5H-thieno[2,3-b]azepine

5,6-dimethyl-5H-thieno[2,3-b]azepine (PubChem CID 123293227) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,6-dimethyl-5H-thieno[2,3-b]azepine.

Molecular Properties

Compound Name5,6-dimethyl-5H-thieno[2,3-b]azepine
PubChem CID123293227
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,6-dimethyl-5H-thieno[2,3-b]azepine
SMILESCC1=CN=c2sccc2=CC1C
InChIInChI=1S/C10H11NS/c1-7-5-9-3-4-12-10(9)11-6-8(7)2/h3-7H,1-2H3
InChIKeyLFCDIIAZGJFWNB-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-dimethyl-5H-thieno[2,3-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-7H-thieno[3,2-b]azepine
CID 123404675
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
6-Propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722117
6-Ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722119
6-Propan-2-yl-10-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722173
6-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722175
5,5-Dimethylthieno[2,3-c]azepine
CID 143248532
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342639
(3E)-N-ethyl-3-(3-methylpentan-2-ylidene)thiophen-2-imine
CID 153342670
2H-thieno[2,3-b]azepine
CID 154275911
6-Butan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 156215765

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5H-thieno[2,3-b]azepine?
The IUPAC name of 5,6-dimethyl-5H-thieno[2,3-b]azepine (CID 123293227) is 5,6-dimethyl-5H-thieno[2,3-b]azepine.
What is the SMILES notation for 5,6-dimethyl-5H-thieno[2,3-b]azepine?
The canonical SMILES for 5,6-dimethyl-5H-thieno[2,3-b]azepine is CC1=CN=c2sccc2=CC1C.
What is the InChIKey of 5,6-dimethyl-5H-thieno[2,3-b]azepine?
The InChIKey is LFCDIIAZGJFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-5-9-3-4-12-10(9)11-6-8(7)2/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-5H-thieno[2,3-b]azepine?
5,6-dimethyl-5H-thieno[2,3-b]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5H-thieno[2,3-b]azepine is sourced from PubChem (CID 123293227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).