(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H15N3O3S — CID 2139314

IUPAC(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1cccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1OC
InChIInChI=1S/C19H15N3O3S/c1-24-14-10-6-9-13(16(14)25-2)11-15-18(23)22-19(26-15)20-17(21-22)12-7-4-3-5-8-12/h3-11H,1-2H3/b15-11-
InChIKeyWXVYJUUMIDIDIG-PTNGSMBKSA-N
MW365.41 g/mol
LogP2.38
Rot. Bonds4

About (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2139314) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2139314
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1cccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1OC
InChIInChI=1S/C19H15N3O3S/c1-24-14-10-6-9-13(16(14)25-2)11-15-18(23)22-19(26-15)20-17(21-22)12-7-4-3-5-8-12/h3-11H,1-2H3/b15-11-
InChIKeyWXVYJUUMIDIDIG-PTNGSMBKSA-N
XLogP2.38
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2139314) is (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1cccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1OC.
What is the InChIKey of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is WXVYJUUMIDIDIG-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-24-14-10-6-9-13(16(14)25-2)11-15-18(23)22-19(26-15)20-17(21-22)12-7-4-3-5-8-12/h3-11H,1-2H3/b15-11-.
What are the key properties of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 365.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2139314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).