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

C20H15N3O2S — CID 6370141

IUPAC(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-2-13-8-10-14(11-9-13)12-16-19(25)23-20(26-16)21-18(24)17(22-23)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12+
InChIKeyBXUOETHSISHOHM-FOWTUZBSSA-N
MW361.43 g/mol
LogP2.29
Rot. Bonds3

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

(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 6370141) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID6370141
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C20H15N3O2S/c1-2-13-8-10-14(11-9-13)12-16-19(25)23-20(26-16)21-18(24)17(22-23)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12+
InChIKeyBXUOETHSISHOHM-FOWTUZBSSA-N
XLogP2.29
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-6-Benzyl-2-(4-isopropylbenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 1416188
(2Z)-6-Benzyl-2-(2-fluorobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 1554617
2-(2-Bromobenzylidene)-6-PH-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 2187715
(2Z)-2-(3-Fluorobenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 5916759
6-Benzyl-2-benzylidene-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 92274050
(2Z)-6-benzyl-2-(3-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 1600709
(Z)-6-benzyl-2-(4-fluorobenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 5533185
(2Z)-6-benzyl-2-benzylidene-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 6270693
(2Z)-6-Benzyl-2-(4-tert-butylbenzylidene)-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 1576919
(2E)-2-[4-(Methylsulfanyl)benzylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 2060682
2-(4-Ethylbenzylidene)-6-ME-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 2139141
2-[4-(methylthio)benzylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 1304879

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 6370141) is (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is BXUOETHSISHOHM-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-2-13-8-10-14(11-9-13)12-16-19(25)23-20(26-16)21-18(24)17(22-23)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12+.
What are the key properties of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 361.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 6370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).