2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate

C24H13N4O4S- — CID 4081695

IUPAC2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate
SMILESO=C([O-])CN1C(=O)C(=c2sc3nc(-c4cccc5ccccc45)nn3c2=O)c2ccccc21
InChIInChI=1S/C24H14N4O4S/c29-18(30)12-27-17-11-4-3-9-16(17)19(22(27)31)20-23(32)28-24(33-20)25-21(26-28)15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,29,30)/p-1
InChIKeyZUTRXYLSLMUYEI-UHFFFAOYSA-M
MW453.46 g/mol
LogP0.99
Rot. Bonds3

About 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate

2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate (PubChem CID 4081695) has the molecular formula C24H13N4O4S- and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Name2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate
PubChem CID4081695
Molecular FormulaC24H13N4O4S-
Molecular Weight453.46 g/mol
Exact Mass453.07
IUPAC Name2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate
SMILESO=C([O-])CN1C(=O)C(=c2sc3nc(-c4cccc5ccccc45)nn3c2=O)c2ccccc21
InChIInChI=1S/C24H14N4O4S/c29-18(30)12-27-17-11-4-3-9-16(17)19(22(27)31)20-23(32)28-24(33-20)25-21(26-28)15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,29,30)/p-1
InChIKeyZUTRXYLSLMUYEI-UHFFFAOYSA-M
XLogP0.99
TPSA107.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate?
The IUPAC name of 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate (CID 4081695) is 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate.
What is the SMILES notation for 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate?
The canonical SMILES for 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate is O=C([O-])CN1C(=O)C(=c2sc3nc(-c4cccc5ccccc45)nn3c2=O)c2ccccc21.
What is the InChIKey of 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate?
The InChIKey is ZUTRXYLSLMUYEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H14N4O4S/c29-18(30)12-27-17-11-4-3-9-16(17)19(22(27)31)20-23(32)28-24(33-20)25-21(26-28)15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,29,30)/p-1.
What are the key properties of 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate?
2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate has a molecular weight of 453.46 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-naphthalen-1-yl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 4081695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).