(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C22H16N4O3S — CID 2009945

IUPAC(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C22H16N4O3S/c1-2-25-16-11-7-6-10-14(16)17(20(25)28)18-21(29)26-22(30-18)23-19(27)15(24-26)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-17-
InChIKeyJLHQDGITPZORLD-ZCXUNETKSA-N
MW416.46 g/mol
LogP1.39
Rot. Bonds3

About (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2009945) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2009945
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC Name(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C22H16N4O3S/c1-2-25-16-11-7-6-10-14(16)17(20(25)28)18-21(29)26-22(30-18)23-19(27)15(24-26)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-17-
InChIKeyJLHQDGITPZORLD-ZCXUNETKSA-N
XLogP1.39
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2009945) is (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCN1C(=O)/C(=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is JLHQDGITPZORLD-ZCXUNETKSA-N. The full InChI is InChI=1S/C22H16N4O3S/c1-2-25-16-11-7-6-10-14(16)17(20(25)28)18-21(29)26-22(30-18)23-19(27)15(24-26)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/b18-17-.
What are the key properties of (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 416.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-benzyl-2-(1-ethyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2009945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).