[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol

C19H22FNOS — CID 22157544

IUPAC[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
SMILESCC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)C1CO
InChIInChI=1S/C19H22FNOS/c1-19(2)17(13-22)21(12-14-8-10-16(20)11-9-14)18(23-19)15-6-4-3-5-7-15/h3-11,17-18,22H,12-13H2,1-2H3
InChIKeyNEYUAWAOOWKPJS-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.21
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol

[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol (PubChem CID 22157544) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
PubChem CID22157544
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
SMILESCC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)C1CO
InChIInChI=1S/C19H22FNOS/c1-19(2)17(13-22)21(12-14-8-10-16(20)11-9-14)18(23-19)15-6-4-3-5-7-15/h3-11,17-18,22H,12-13H2,1-2H3
InChIKeyNEYUAWAOOWKPJS-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol (CID 22157544) is [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol is CC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)C1CO.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The InChIKey is NEYUAWAOOWKPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-19(2)17(13-22)21(12-14-8-10-16(20)11-9-14)18(23-19)15-6-4-3-5-7-15/h3-11,17-18,22H,12-13H2,1-2H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
[3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol has a molecular weight of 331.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol is sourced from PubChem (CID 22157544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).