2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C19H11N3O3S — CID 3336449

IUPAC2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCC(=O)N1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C19H11N3O3S/c1-10(23)21-13-8-4-2-6-11(13)15(17(21)24)16-18(25)22-14-9-5-3-7-12(14)20-19(22)26-16/h2-9H,1H3
InChIKeyFOWJUPCKSPRLLK-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.72
Rot. Bonds

About 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3336449) has the molecular formula C19H11N3O3S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3336449
Molecular FormulaC19H11N3O3S
Molecular Weight361.38 g/mol
Exact Mass361.05
IUPAC Name2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCC(=O)N1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21
InChIInChI=1S/C19H11N3O3S/c1-10(23)21-13-8-4-2-6-11(13)15(17(21)24)16-18(25)22-14-9-5-3-7-12(14)20-19(22)26-16/h2-9H,1H3
InChIKeyFOWJUPCKSPRLLK-UHFFFAOYSA-N
XLogP1.72
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one 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

methyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 23912323
ethyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 1051154
(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1328067
6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23823031
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 680617
2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 911632
(2E)-2-(1-ethylquinolin-2-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 25250704
2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 1345534
methyl 2-(1-acetyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3746424
5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23989969
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2001390
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842713

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3336449) is 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CC(=O)N1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is FOWJUPCKSPRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O3S/c1-10(23)21-13-8-4-2-6-11(13)15(17(21)24)16-18(25)22-14-9-5-3-7-12(14)20-19(22)26-16/h2-9H,1H3.
What are the key properties of 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 361.38 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3336449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).