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

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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).