6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C23H15N3O2S — CID 3746185

IUPAC6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2cccc(Oc3ccccc3)c2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C23H15N3O2S/c27-22-20(29-23-25-24-21(26(22)23)17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)28-18-11-5-2-6-12-18/h1-15H
InChIKeyOHBHDFHXVJFWLD-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.16
Rot. Bonds4

About 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 3746185) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID3746185
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2cccc(Oc3ccccc3)c2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C23H15N3O2S/c27-22-20(29-23-25-24-21(26(22)23)17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)28-18-11-5-2-6-12-18/h1-15H
InChIKeyOHBHDFHXVJFWLD-UHFFFAOYSA-N
XLogP4.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6010358
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4264083
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
methyl 4-[(5-oxo-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]benzoate
CID 1256345
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
(6Z)-6-[(2,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1042450
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809
6-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4102155
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350

Frequently Asked Questions

What is the IUPAC name of 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 3746185) is 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=c1c(=Cc2cccc(Oc3ccccc3)c2)sc2nnc(-c3ccccc3)n12.
What is the InChIKey of 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is OHBHDFHXVJFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S/c27-22-20(29-23-25-24-21(26(22)23)17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)28-18-11-5-2-6-12-18/h1-15H.
What are the key properties of 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 397.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 3746185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).