5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H12N4O2S — CID 1286559

IUPAC5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN1C(=O)C(=c2sc3nc(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H12N4O2S/c1-22-13-10-6-5-9-12(13)14(17(22)24)15-18(25)23-19(26-15)20-16(21-23)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyVHTDPJORYAZSGO-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.71
Rot. Bonds1

About 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 1286559) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID1286559
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCN1C(=O)C(=c2sc3nc(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H12N4O2S/c1-22-13-10-6-5-9-12(13)14(17(22)24)15-18(25)23-19(26-15)20-16(21-23)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyVHTDPJORYAZSGO-UHFFFAOYSA-N
XLogP1.71
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 1286559) is 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CN1C(=O)C(=c2sc3nc(-c4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is VHTDPJORYAZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c1-22-13-10-6-5-9-12(13)14(17(22)24)15-18(25)23-19(26-15)20-16(21-23)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 360.40 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 1286559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).