(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C14H13N3O2S — CID 926133

IUPAC(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccccc1/C=c1\sc2nnc(C)n2c1=O
InChIInChI=1S/C14H13N3O2S/c1-3-19-11-7-5-4-6-10(11)8-12-13(18)17-9(2)15-16-14(17)20-12/h4-8H,3H2,1-2H3/b12-8-
InChIKeyUSRBHWMRXJAXPJ-WQLSENKSSA-N
MW287.34 g/mol
LogP1.41
Rot. Bonds3

About (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 926133) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID926133
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccccc1/C=c1\sc2nnc(C)n2c1=O
InChIInChI=1S/C14H13N3O2S/c1-3-19-11-7-5-4-6-10(11)8-12-13(18)17-9(2)15-16-14(17)20-12/h4-8H,3H2,1-2H3/b12-8-
InChIKeyUSRBHWMRXJAXPJ-WQLSENKSSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3403665
2-(3,4-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3398599
5-[(2-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3656487
(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124536900
(6Z)-3-methyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420518
2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889151
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(2-ethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838068
2-[(2-ethoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4987603
(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 91972496
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420523
(5Z)-5-[(2-ethoxyphenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143811

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 926133) is (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CCOc1ccccc1/C=c1\sc2nnc(C)n2c1=O.
What is the InChIKey of (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is USRBHWMRXJAXPJ-WQLSENKSSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-11-7-5-4-6-10(11)8-12-13(18)17-9(2)15-16-14(17)20-12/h4-8H,3H2,1-2H3/b12-8-.
What are the key properties of (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 287.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).