3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione

C8H8N2O2S — CID 130020086

IUPAC3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
SMILESCC1NC(=O)c2sccc2NC1=O
InChIInChI=1S/C8H8N2O2S/c1-4-7(11)10-5-2-3-13-6(5)8(12)9-4/h2-4H,1H3,(H,9,12)(H,10,11)
InChIKeyWVAJJGITFIPZQL-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.82
Rot. Bonds

About 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione

3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione (PubChem CID 130020086) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
PubChem CID130020086
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
SMILESCC1NC(=O)c2sccc2NC1=O
InChIInChI=1S/C8H8N2O2S/c1-4-7(11)10-5-2-3-13-6(5)8(12)9-4/h2-4H,1H3,(H,9,12)(H,10,11)
InChIKeyWVAJJGITFIPZQL-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The IUPAC name of 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione (CID 130020086) is 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione.
What is the SMILES notation for 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The canonical SMILES for 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione is CC1NC(=O)c2sccc2NC1=O.
What is the InChIKey of 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The InChIKey is WVAJJGITFIPZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-7(11)10-5-2-3-13-6(5)8(12)9-4/h2-4H,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione has a molecular weight of 196.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione is sourced from PubChem (CID 130020086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).