6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C18H10N4O2S — CID 926151

IUPAC6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=C1Nc2ccccc2C1=c1sc2nnc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H10N4O2S/c23-16-13(11-8-4-5-9-12(11)19-16)14-17(24)22-15(20-21-18(22)25-14)10-6-2-1-3-7-10/h1-9H,(H,19,23)
InChIKeyXTBXBBBNYYVVJF-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.69
Rot. Bonds1

About 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 926151) has the molecular formula C18H10N4O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID926151
Molecular FormulaC18H10N4O2S
Molecular Weight346.37 g/mol
Exact Mass346.05
IUPAC Name6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=C1Nc2ccccc2C1=c1sc2nnc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H10N4O2S/c23-16-13(11-8-4-5-9-12(11)19-16)14-17(24)22-15(20-21-18(22)25-14)10-6-2-1-3-7-10/h1-9H,(H,19,23)
InChIKeyXTBXBBBNYYVVJF-UHFFFAOYSA-N
XLogP1.69
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 926151) is 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=C1Nc2ccccc2C1=c1sc2nnc(-c3ccccc3)n2c1=O.
What is the InChIKey of 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is XTBXBBBNYYVVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O2S/c23-16-13(11-8-4-5-9-12(11)19-16)14-17(24)22-15(20-21-18(22)25-14)10-6-2-1-3-7-10/h1-9H,(H,19,23).
What are the key properties of 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 346.37 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-1H-indol-3-ylidene)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 926151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).