(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C17H9N3O2S — CID 680617

IUPAC(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1Nc2ccccc2/C1=c1\sc2nc3ccccc3n2c1=O
InChIInChI=1S/C17H9N3O2S/c21-15-13(9-5-1-2-6-10(9)18-15)14-16(22)20-12-8-4-3-7-11(12)19-17(20)23-14/h1-8H,(H,18,21)/b14-13+
InChIKeyDVBSBOVUDQBXJS-BUHFOSPRSA-N
MW319.35 g/mol
LogP1.78
Rot. Bonds

About (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 680617) has the molecular formula C17H9N3O2S and a molecular weight of 319.35 g/mol. Its IUPAC name is (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID680617
Molecular FormulaC17H9N3O2S
Molecular Weight319.35 g/mol
Exact Mass319.04
IUPAC Name(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1Nc2ccccc2/C1=c1\sc2nc3ccccc3n2c1=O
InChIInChI=1S/C17H9N3O2S/c21-15-13(9-5-1-2-6-10(9)18-15)14-16(22)20-12-8-4-3-7-11(12)19-17(20)23-14/h1-8H,(H,18,21)/b14-13+
InChIKeyDVBSBOVUDQBXJS-BUHFOSPRSA-N
XLogP1.78
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 680617) is (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=C1Nc2ccccc2/C1=c1\sc2nc3ccccc3n2c1=O.
What is the InChIKey of (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is DVBSBOVUDQBXJS-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H9N3O2S/c21-15-13(9-5-1-2-6-10(9)18-15)14-16(22)20-12-8-4-3-7-11(12)19-17(20)23-14/h1-8H,(H,18,21)/b14-13+.
What are the key properties of (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 319.35 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 680617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).