(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C23H19N3O3S — CID 2143315

IUPAC(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccc(C)cc3)nn2c1=O
InChIInChI=1S/C23H19N3O3S/c1-15-10-12-16(13-11-15)14-18-21(27)24-23-26(25-18)22(28)20(30-23)9-5-7-17-6-3-4-8-19(17)29-2/h3-13H,14H2,1-2H3/b7-5+,20-9-
InChIKeyIFKBEQINBGBMPR-DDMRJVITSA-N
MW417.49 g/mol
LogP2.63
Rot. Bonds5

About (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2143315) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2143315
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccc(C)cc3)nn2c1=O
InChIInChI=1S/C23H19N3O3S/c1-15-10-12-16(13-11-15)14-18-21(27)24-23-26(25-18)22(28)20(30-23)9-5-7-17-6-3-4-8-19(17)29-2/h3-13H,14H2,1-2H3/b7-5+,20-9-
InChIKeyIFKBEQINBGBMPR-DDMRJVITSA-N
XLogP2.63
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-benzyl-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3838511
(5Z)-5-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6526682
(2Z)-6-[(4-methylphenyl)methyl]-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2010246
(2Z)-6-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2142590
(2E)-6-[(4-fluorophenyl)methyl]-2-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2000710
2-(4-methoxyphenyl)-5-[3-(2-methoxyphenyl)prop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5143569
6-[(4-methoxyphenyl)methyl]-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3744865
(5E)-5-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143171
(2Z)-6-benzyl-2-[(5-bromo-2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6511581
2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3730175
2-[(2-ethoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4987603
6-[(4-methylphenyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3490960

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2143315) is (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is COc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccc(C)cc3)nn2c1=O.
What is the InChIKey of (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is IFKBEQINBGBMPR-DDMRJVITSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-15-10-12-16(13-11-15)14-18-21(27)24-23-26(25-18)22(28)20(30-23)9-5-7-17-6-3-4-8-19(17)29-2/h3-13H,14H2,1-2H3/b7-5+,20-9-.
What are the key properties of (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 417.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2143315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).