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

C25H19N3O2S — CID 91972496

IUPAC(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(Oc2ccccc2/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1
InChIInChI=1S/C25H19N3O2S/c1-16-11-13-19(14-12-16)30-21-10-6-4-8-18(21)15-22-24(29)28-23(26-27-25(28)31-22)20-9-5-3-7-17(20)2/h3-15H,1-2H3/b22-15+
InChIKeySBNRDRHBKDHEJL-PXLXIMEGSA-N
MW425.51 g/mol
LogP4.77
Rot. Bonds4

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

(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 91972496) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID91972496
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(Oc2ccccc2/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1
InChIInChI=1S/C25H19N3O2S/c1-16-11-13-19(14-12-16)30-21-10-6-4-8-18(21)15-22-24(29)28-23(26-27-25(28)31-22)20-9-5-3-7-17(20)2/h3-15H,1-2H3/b22-15+
InChIKeySBNRDRHBKDHEJL-PXLXIMEGSA-N
XLogP4.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 91972496) is (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1ccc(Oc2ccccc2/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1.
What is the InChIKey of (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is SBNRDRHBKDHEJL-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-16-11-13-19(14-12-16)30-21-10-6-4-8-18(21)15-22-24(29)28-23(26-27-25(28)31-22)20-9-5-3-7-17(20)2/h3-15H,1-2H3/b22-15+.
What are the key properties of (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 425.51 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 91972496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).