5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one

C18H16BrFN2OS — CID 135989721

IUPAC5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one
SMILESCC(/N=C1/NC(=O)C(C)(c2ccc(Br)cc2)S1)c1ccccc1F
InChIInChI=1S/C18H16BrFN2OS/c1-11(14-5-3-4-6-15(14)20)21-17-22-16(23)18(2,24-17)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,21,22,23)
InChIKeyPAZKHXIXOUPBLY-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.78
Rot. Bonds3

About 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one

5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135989721) has the molecular formula C18H16BrFN2OS and a molecular weight of 407.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135989721
Molecular FormulaC18H16BrFN2OS
Molecular Weight407.31 g/mol
Exact Mass406.02
IUPAC Name5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one
SMILESCC(/N=C1/NC(=O)C(C)(c2ccc(Br)cc2)S1)c1ccccc1F
InChIInChI=1S/C18H16BrFN2OS/c1-11(14-5-3-4-6-15(14)20)21-17-22-16(23)18(2,24-17)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,21,22,23)
InChIKeyPAZKHXIXOUPBLY-UHFFFAOYSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide
CID 135989728
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
5-[4-(aminomethyl)phenyl]-2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;ethane
CID 143467950
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-oxopiperidin-4-yl)-1,3-thiazolidin-4-one
CID 135989240
1-[4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]phenyl]cyclopropane-1-carboxamide
CID 135556845
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
CID 135989261
(5S)-5-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 135989664
(5S)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one;(5R)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 159151855
2-[(1S)-1-(2,6-difluorophenyl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989651
4-[(5R)-2-[(1S)-1-(5-fluorocyclohepta-1,4,6-trien-1-yl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
CID 136595688
5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one (CID 135989721) is 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one is CC(/N=C1/NC(=O)C(C)(c2ccc(Br)cc2)S1)c1ccccc1F.
What is the InChIKey of 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is PAZKHXIXOUPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2OS/c1-11(14-5-3-4-6-15(14)20)21-17-22-16(23)18(2,24-17)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one?
5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 407.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).