4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione

C8H8N2O2S — CID 21289974

IUPAC4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione
SMILESCN1CC(=O)Nc2sccc2C1=O
InChIInChI=1S/C8H8N2O2S/c1-10-4-6(11)9-7-5(8(10)12)2-3-13-7/h2-3H,4H2,1H3,(H,9,11)
InChIKeyWXPVJHWBSNEEJS-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.77
Rot. Bonds

About 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione

4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione (PubChem CID 21289974) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione.

Molecular Properties

Compound Name4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione
PubChem CID21289974
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione
SMILESCN1CC(=O)Nc2sccc2C1=O
InChIInChI=1S/C8H8N2O2S/c1-10-4-6(11)9-7-5(8(10)12)2-3-13-7/h2-3H,4H2,1H3,(H,9,11)
InChIKeyWXPVJHWBSNEEJS-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione?
The IUPAC name of 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione (CID 21289974) is 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione.
What is the SMILES notation for 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione?
The canonical SMILES for 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione is CN1CC(=O)Nc2sccc2C1=O.
What is the InChIKey of 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione?
The InChIKey is WXPVJHWBSNEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-10-4-6(11)9-7-5(8(10)12)2-3-13-7/h2-3H,4H2,1H3,(H,9,11).
What are the key properties of 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione?
4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione has a molecular weight of 196.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2,5-dione is sourced from PubChem (CID 21289974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).