1-acetyl-3H-thieno[2,3-d]imidazol-2-one

C7H6N2O2S — CID 12669248

IUPAC1-acetyl-3H-thieno[2,3-d]imidazol-2-one
SMILESCC(=O)n1c(=O)[nH]c2sccc21
InChIInChI=1S/C7H6N2O2S/c1-4(10)9-5-2-3-12-6(5)8-7(9)11/h2-3H,1H3,(H,8,11)
InChIKeyQQQUMFNTXKTVKO-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.05
Rot. Bonds

About 1-acetyl-3H-thieno[2,3-d]imidazol-2-one

1-acetyl-3H-thieno[2,3-d]imidazol-2-one (PubChem CID 12669248) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-acetyl-3H-thieno[2,3-d]imidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3H-thieno[2,3-d]imidazol-2-one
PubChem CID12669248
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1-acetyl-3H-thieno[2,3-d]imidazol-2-one
SMILESCC(=O)n1c(=O)[nH]c2sccc21
InChIInChI=1S/C7H6N2O2S/c1-4(10)9-5-2-3-12-6(5)8-7(9)11/h2-3H,1H3,(H,8,11)
InChIKeyQQQUMFNTXKTVKO-UHFFFAOYSA-N
XLogP1.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-3H-thieno[2,3-d]imidazol-2-one 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 1-acetyl-3H-thieno[2,3-d]imidazol-2-one?
The IUPAC name of 1-acetyl-3H-thieno[2,3-d]imidazol-2-one (CID 12669248) is 1-acetyl-3H-thieno[2,3-d]imidazol-2-one.
What is the SMILES notation for 1-acetyl-3H-thieno[2,3-d]imidazol-2-one?
The canonical SMILES for 1-acetyl-3H-thieno[2,3-d]imidazol-2-one is CC(=O)n1c(=O)[nH]c2sccc21.
What is the InChIKey of 1-acetyl-3H-thieno[2,3-d]imidazol-2-one?
The InChIKey is QQQUMFNTXKTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-4(10)9-5-2-3-12-6(5)8-7(9)11/h2-3H,1H3,(H,8,11).
What are the key properties of 1-acetyl-3H-thieno[2,3-d]imidazol-2-one?
1-acetyl-3H-thieno[2,3-d]imidazol-2-one has a molecular weight of 182.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3H-thieno[2,3-d]imidazol-2-one is sourced from PubChem (CID 12669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).