6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C21H17N3O3S — CID 3741504

IUPAC6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCOc1ccccc1C=c1sc2nc(=O)c(-c3ccccc3)nn2c1=O
InChIInChI=1S/C21H17N3O3S/c1-2-12-27-16-11-7-6-10-15(16)13-17-20(26)24-21(28-17)22-19(25)18(23-24)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyYSJVGLDTMWPBON-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.51
Rot. Bonds5

About 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 3741504) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID3741504
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCOc1ccccc1C=c1sc2nc(=O)c(-c3ccccc3)nn2c1=O
InChIInChI=1S/C21H17N3O3S/c1-2-12-27-16-11-7-6-10-15(16)13-17-20(26)24-21(28-17)22-19(25)18(23-24)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyYSJVGLDTMWPBON-UHFFFAOYSA-N
XLogP2.51
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 3741504) is 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCCOc1ccccc1C=c1sc2nc(=O)c(-c3ccccc3)nn2c1=O.
What is the InChIKey of 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is YSJVGLDTMWPBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-2-12-27-16-11-7-6-10-15(16)13-17-20(26)24-21(28-17)22-19(25)18(23-24)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 391.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 3741504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).