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

C18H12BrN3O2S — CID 1051360

IUPAC(5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O
InChIInChI=1S/C18H12BrN3O2S/c1-24-14-5-3-2-4-12(14)10-15-17(23)22-18(25-15)20-16(21-22)11-6-8-13(19)9-7-11/h2-10H,1H3/b15-10-
InChIKeyMOTGUXVYKGNVSQ-GDNBJRDFSA-N
MW414.28 g/mol
LogP3.14
Rot. Bonds3

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

(5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 1051360) has the molecular formula C18H12BrN3O2S and a molecular weight of 414.28 g/mol. Its IUPAC name is (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID1051360
Molecular FormulaC18H12BrN3O2S
Molecular Weight414.28 g/mol
Exact Mass412.98
IUPAC Name(5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O
InChIInChI=1S/C18H12BrN3O2S/c1-24-14-5-3-2-4-12(14)10-15-17(23)22-18(25-15)20-16(21-22)11-6-8-13(19)9-7-11/h2-10H,1H3/b15-10-
InChIKeyMOTGUXVYKGNVSQ-GDNBJRDFSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 1051360) is (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1/C=c1\sc2nc(-c3ccc(Br)cc3)nn2c1=O.
What is the InChIKey of (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is MOTGUXVYKGNVSQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H12BrN3O2S/c1-24-14-5-3-2-4-12(14)10-15-17(23)22-18(25-15)20-16(21-22)11-6-8-13(19)9-7-11/h2-10H,1H3/b15-10-.
What are the key properties of (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 414.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 1051360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).