(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C21H17N3O5S — CID 1183692

IUPAC(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H17N3O5S/c1-27-14-9-12(10-15(28-2)18(14)29-3)11-16-20(26)24-21(30-16)22-19(25)17(23-24)13-7-5-4-6-8-13/h4-11H,1-3H3/b16-11-
InChIKeyZWQQAKAUWGJPRG-WJDWOHSUSA-N
MW423.45 g/mol
LogP1.75
Rot. Bonds5

About (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 1183692) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID1183692
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC Name(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H17N3O5S/c1-27-14-9-12(10-15(28-2)18(14)29-3)11-16-20(26)24-21(30-16)22-19(25)17(23-24)13-7-5-4-6-8-13/h4-11H,1-3H3/b16-11-
InChIKeyZWQQAKAUWGJPRG-WJDWOHSUSA-N
XLogP1.75
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 1183692) is (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is COc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(OC)c1OC.
What is the InChIKey of (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is ZWQQAKAUWGJPRG-WJDWOHSUSA-N. The full InChI is InChI=1S/C21H17N3O5S/c1-27-14-9-12(10-15(28-2)18(14)29-3)11-16-20(26)24-21(30-16)22-19(25)17(23-24)13-7-5-4-6-8-13/h4-11H,1-3H3/b16-11-.
What are the key properties of (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 423.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 1183692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).