5,5-dimethylthieno[2,3-c]azepine

C10H11NS — CID 143248532

IUPAC5,5-dimethylthieno[2,3-c]azepine
SMILESCC1(C)C=NC=c2sccc2=C1
InChIInChI=1S/C10H11NS/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7H,1-2H3
InChIKeyJXGABKKGUXFVEJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.38
Rot. Bonds

About 5,5-dimethylthieno[2,3-c]azepine

5,5-dimethylthieno[2,3-c]azepine (PubChem CID 143248532) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,5-dimethylthieno[2,3-c]azepine.

Molecular Properties

Compound Name5,5-dimethylthieno[2,3-c]azepine
PubChem CID143248532
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,5-dimethylthieno[2,3-c]azepine
SMILESCC1(C)C=NC=c2sccc2=C1
InChIInChI=1S/C10H11NS/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7H,1-2H3
InChIKeyJXGABKKGUXFVEJ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethylthieno[2,3-c]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

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-thieno[2,3-c]azepine
CID 90974805
5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
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
3-Ethylsulfanyl-3-methylazepine
CID 142497794
6-(1-ethenylsulfanylethenyl)-4H-azepine
CID 143076341

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[2,3-c]azepine?
The IUPAC name of 5,5-dimethylthieno[2,3-c]azepine (CID 143248532) is 5,5-dimethylthieno[2,3-c]azepine.
What is the SMILES notation for 5,5-dimethylthieno[2,3-c]azepine?
The canonical SMILES for 5,5-dimethylthieno[2,3-c]azepine is CC1(C)C=NC=c2sccc2=C1.
What is the InChIKey of 5,5-dimethylthieno[2,3-c]azepine?
The InChIKey is JXGABKKGUXFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7H,1-2H3.
What are the key properties of 5,5-dimethylthieno[2,3-c]azepine?
5,5-dimethylthieno[2,3-c]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthieno[2,3-c]azepine is sourced from PubChem (CID 143248532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).