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

C18H11BrFN3O2S — CID 3743345

IUPAC5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(Br)cc1C=c1sc2nc(-c3ccc(F)cc3)nn2c1=O
InChIInChI=1S/C18H11BrFN3O2S/c1-25-14-7-4-12(19)8-11(14)9-15-17(24)23-18(26-15)21-16(22-23)10-2-5-13(20)6-3-10/h2-9H,1H3
InChIKeyOYLVACRSHKALSH-UHFFFAOYSA-N
MW432.27 g/mol
LogP3.28
Rot. Bonds3

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

5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3743345) has the molecular formula C18H11BrFN3O2S and a molecular weight of 432.27 g/mol. Its IUPAC name is 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3743345
Molecular FormulaC18H11BrFN3O2S
Molecular Weight432.27 g/mol
Exact Mass430.97
IUPAC Name5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(Br)cc1C=c1sc2nc(-c3ccc(F)cc3)nn2c1=O
InChIInChI=1S/C18H11BrFN3O2S/c1-25-14-7-4-12(19)8-11(14)9-15-17(24)23-18(26-15)21-16(22-23)10-2-5-13(20)6-3-10/h2-9H,1H3
InChIKeyOYLVACRSHKALSH-UHFFFAOYSA-N
XLogP3.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5207569
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1305745
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269134
5-[(2-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3656487
(5Z)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 938463
2-(3,4-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3398599
2-(4-butoxyphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3868529
(5Z)-2-(4-bromophenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2060175
2-(4-fluorophenyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3256533
2-(4-bromophenyl)-5-[(2-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4078552
(2Z)-6-benzyl-2-[(5-bromo-2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6511581
2-[4-bromo-2-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19256332

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3743345) is 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(Br)cc1C=c1sc2nc(-c3ccc(F)cc3)nn2c1=O.
What is the InChIKey of 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is OYLVACRSHKALSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN3O2S/c1-25-14-7-4-12(19)8-11(14)9-15-17(24)23-18(26-15)21-16(22-23)10-2-5-13(20)6-3-10/h2-9H,1H3.
What are the key properties of 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 432.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3743345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).