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

C21H14N4O3S — CID 2139189

IUPAC(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C21H14N4O3S/c1-2-24-14-11-7-6-10-13(14)15(19(24)27)17-20(28)25-21(29-17)22-18(26)16(23-25)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-
InChIKeyAPBYGYBUYYMBIB-ICFOKQHNSA-N
MW402.44 g/mol
LogP1.46
Rot. Bonds2

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

(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2139189) has the molecular formula C21H14N4O3S and a molecular weight of 402.44 g/mol. Its IUPAC name is (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2139189
Molecular FormulaC21H14N4O3S
Molecular Weight402.44 g/mol
Exact Mass402.08
IUPAC Name(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C21H14N4O3S/c1-2-24-14-11-7-6-10-13(14)15(19(24)27)17-20(28)25-21(29-17)22-18(26)16(23-25)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-
InChIKeyAPBYGYBUYYMBIB-ICFOKQHNSA-N
XLogP1.46
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2139189) is (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is APBYGYBUYYMBIB-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H14N4O3S/c1-2-24-14-11-7-6-10-13(14)15(19(24)27)17-20(28)25-21(29-17)22-18(26)16(23-25)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-.
What are the key properties of (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 402.44 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2139189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).