5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one

C18H10BrFN4OS2 — CID 155819070

IUPAC5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2nnc(-c3cccc(F)c3)s2)SC1=Cc1ccccc1Br
InChIInChI=1S/C18H10BrFN4OS2/c19-13-7-2-1-4-10(13)9-14-15(25)21-17(26-14)22-18-24-23-16(27-18)11-5-3-6-12(20)8-11/h1-9H,(H,21,22,24,25)
InChIKeyZCIFCSUAFOSWRW-UHFFFAOYSA-N
MW461.34 g/mol
LogP5.00
Rot. Bonds3

About 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one

5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one (PubChem CID 155819070) has the molecular formula C18H10BrFN4OS2 and a molecular weight of 461.34 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
PubChem CID155819070
Molecular FormulaC18H10BrFN4OS2
Molecular Weight461.34 g/mol
Exact Mass459.95
IUPAC Name5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2nnc(-c3cccc(F)c3)s2)SC1=Cc1ccccc1Br
InChIInChI=1S/C18H10BrFN4OS2/c19-13-7-2-1-4-10(13)9-14-15(25)21-17(26-14)22-18-24-23-16(27-18)11-5-3-6-12(20)8-11/h1-9H,(H,21,22,24,25)
InChIKeyZCIFCSUAFOSWRW-UHFFFAOYSA-N
XLogP5.00
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(dimethylamino)phenyl]methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
CID 155819092
5-[(3,4-dimethoxyphenyl)methylidene]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
CID 155819115
(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 135400957
5-[(2-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135502880
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
2-[[5-(2-chloro-6-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 155819106
2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135463935
(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 171345910
(5Z)-2-(2-bromophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135844599
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841138
(2E,5Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dibromophenyl)methylidene]-1,3-thiazolidin-4-one
CID 171980641
(5Z)-5-[[2-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 137021472

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one (CID 155819070) is 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one is O=C1NC(=Nc2nnc(-c3cccc(F)c3)s2)SC1=Cc1ccccc1Br.
What is the InChIKey of 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The InChIKey is ZCIFCSUAFOSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrFN4OS2/c19-13-7-2-1-4-10(13)9-14-15(25)21-17(26-14)22-18-24-23-16(27-18)11-5-3-6-12(20)8-11/h1-9H,(H,21,22,24,25).
What are the key properties of 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one has a molecular weight of 461.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155819070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).