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

C19H22FNOS — CID 15097672

IUPAC[(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
SMILESCC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)[C@H]1CO
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/t17-,18?/m0/s1
InChIKeyNEYUAWAOOWKPJS-ZENAZSQFSA-N
MW331.46 g/mol
LogP4.21
Rot. Bonds4

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

[(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol (PubChem CID 15097672) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
PubChem CID15097672
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name[(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
SMILESCC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)[C@H]1CO
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/t17-,18?/m0/s1
InChIKeyNEYUAWAOOWKPJS-ZENAZSQFSA-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

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

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Related Compounds

1-[Benzyl(methyl)amino]-3-benzylsulfanylpropan-2-ol
CID 44427659
Mls003171269
CID 340406
(4-Fluorophenyl)-[4-(hydroxymethyl)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-3-yl]methanone
CID 19821025
[3-[(4-Fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol
CID 22157544
deamino-Cys(Bn)-N(Bn(2-F))Met-ol
CID 56634886
(4-fluorophenyl)-[(4S)-4-(hydroxymethyl)-5,5-dimethyl-2-phenyl-1,3-thiazolidin-3-yl]methanone
CID 57069038
(2R)-2-[bis[(3-fluorophenyl)methyl]amino]-4-methylpentan-1-ol
CID 59084959
3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol
CID 68862455
(2R)-3-[(4-fluorophenyl)methylsulfanyl]-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propan-1-ol
CID 68862460
deamino-Cys(Bn)-D-N(Bn(2-F))Met-ol
CID 70546339
2-Phenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
CID 174264849
2,2-Diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
CID 174269757

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The IUPAC name of [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol (CID 15097672) is [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol.
What is the SMILES notation for [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The canonical SMILES for [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol is CC1(C)SC(c2ccccc2)N(Cc2ccc(F)cc2)[C@H]1CO.
What is the InChIKey of [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
The InChIKey is NEYUAWAOOWKPJS-ZENAZSQFSA-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/t17-,18?/m0/s1.
What are the key properties of [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol?
[(4S)-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 [(4S)-3-[(4-fluorophenyl)methyl]-5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-yl]methanol is sourced from PubChem (CID 15097672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).