2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one

C22H24FNO3S — CID 130428140

IUPAC2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(O)OCC2CC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3S/c1-13-9-17(13)11-27-22(26)16-5-8-19(14(2)10-16)24-20(25)12-28-21(24)15-3-6-18(23)7-4-15/h3-8,10,13,17,21-22,26H,9,11-12H2,1-2H3
InChIKeyXOUTZRLDQOHHOB-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one (PubChem CID 130428140) has the molecular formula C22H24FNO3S and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one
PubChem CID130428140
Molecular FormulaC22H24FNO3S
Molecular Weight401.50 g/mol
Exact Mass401.15
IUPAC Name2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C(O)OCC2CC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3S/c1-13-9-17(13)11-27-22(26)16-5-8-19(14(2)10-16)24-20(25)12-28-21(24)15-3-6-18(23)7-4-15/h3-8,10,13,17,21-22,26H,9,11-12H2,1-2H3
InChIKeyXOUTZRLDQOHHOB-UHFFFAOYSA-N
XLogP4.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide
CID 145367011
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 130428174
1-adamantyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385606
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
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-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
CID 130428173
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylbenzoic acid
CID 130385895
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385628
5-pyridin-4-ylpent-4-enyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 145367077

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one (CID 130428140) is 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one is Cc1cc(C(O)OCC2CC2C)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one?
The InChIKey is XOUTZRLDQOHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3S/c1-13-9-17(13)11-27-22(26)16-5-8-19(14(2)10-16)24-20(25)12-28-21(24)15-3-6-18(23)7-4-15/h3-8,10,13,17,21-22,26H,9,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one has a molecular weight of 401.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[4-[hydroxy-[(2-methylcyclopropyl)methoxy]methyl]-2-methylphenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 130428140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).