3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine

C17H15BrFNS — CID 130428178

IUPAC3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine
SMILESC=C1CSC(c2ccc(F)cc2)N1c1ccc(Br)cc1C
InChIInChI=1S/C17H15BrFNS/c1-11-9-14(18)5-8-16(11)20-12(2)10-21-17(20)13-3-6-15(19)7-4-13/h3-9,17H,2,10H2,1H3
InChIKeyCSIZOPWPWCGDAS-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.66
Rot. Bonds2

About 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine

3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine (PubChem CID 130428178) has the molecular formula C17H15BrFNS and a molecular weight of 364.28 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine
PubChem CID130428178
Molecular FormulaC17H15BrFNS
Molecular Weight364.28 g/mol
Exact Mass363.01
IUPAC Name3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine
SMILESC=C1CSC(c2ccc(F)cc2)N1c1ccc(Br)cc1C
InChIInChI=1S/C17H15BrFNS/c1-11-9-14(18)5-8-16(11)20-12(2)10-21-17(20)13-3-6-15(19)7-4-13/h3-9,17H,2,10H2,1H3
InChIKeyCSIZOPWPWCGDAS-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-imino-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130428050
3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732041
3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 130385863
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide
CID 145367011
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one
CID 130428140
N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385994
2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 130428174
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine (CID 130428178) is 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine is C=C1CSC(c2ccc(F)cc2)N1c1ccc(Br)cc1C.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine?
The InChIKey is CSIZOPWPWCGDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNS/c1-11-9-14(18)5-8-16(11)20-12(2)10-21-17(20)13-3-6-15(19)7-4-13/h3-9,17H,2,10H2,1H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine?
3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine has a molecular weight of 364.28 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-4-methylidene-1,3-thiazolidine is sourced from PubChem (CID 130428178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).