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

C20H12N4O3S — CID 2186518

IUPAC(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C20H12N4O3S/c1-23-13-10-6-5-9-12(13)14(18(23)26)16-19(27)24-20(28-16)21-17(25)15(22-24)11-7-3-2-4-8-11/h2-10H,1H3/b16-14-
InChIKeyOERCPNAHYRFVQC-PEZBUJJGSA-N
MW388.41 g/mol
LogP1.07
Rot. Bonds1

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

(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2186518) has the molecular formula C20H12N4O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is (2Z)-2-(1-methyl-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-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2186518
Molecular FormulaC20H12N4O3S
Molecular Weight388.41 g/mol
Exact Mass388.06
IUPAC Name(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C20H12N4O3S/c1-23-13-10-6-5-9-12(13)14(18(23)26)16-19(27)24-20(28-16)21-17(25)15(22-24)11-7-3-2-4-8-11/h2-10H,1H3/b16-14-
InChIKeyOERCPNAHYRFVQC-PEZBUJJGSA-N
XLogP1.07
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-methyl-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-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2186518) is (2Z)-2-(1-methyl-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-methyl-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-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of (2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is OERCPNAHYRFVQC-PEZBUJJGSA-N. The full InChI is InChI=1S/C20H12N4O3S/c1-23-13-10-6-5-9-12(13)14(18(23)26)16-19(27)24-20(28-16)21-17(25)15(22-24)11-7-3-2-4-8-11/h2-10H,1H3/b16-14-.
What are the key properties of (2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 388.41 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2186518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).