(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one

C20H20FNO3S — CID 144945271

IUPAC(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)SC[C@@H]1c1ccccc1
InChIInChI=1S/C20H20FNO3S/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1
InChIKeyWLIBFDSHJBZGOD-MSOLQXFVSA-N
MW373.45 g/mol
LogP4.47
Rot. Bonds6

About (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one

(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one (PubChem CID 144945271) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one
PubChem CID144945271
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one
SMILESO=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)SC[C@@H]1c1ccccc1
InChIInChI=1S/C20H20FNO3S/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1
InChIKeyWLIBFDSHJBZGOD-MSOLQXFVSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10269700
(S)-3-((R)-5-(4-Fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980403
(5R)-1-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-5-phenylpyrrolidin-2-one
CID 16744791
2-(2,4-Difluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712238
2-(3-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712239
(4S)-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11964676
3-[5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone
CID 12111617
(R)-3-((S)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 24812037
(R)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
CID 29980408
(S)-4-Benzyl-3-((S)-5-(4-fluorophenyl)-5-hydroxypentanoyl)oxazolidin-2-one
CID 45489847
4-Benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one
CID 53395252
(5R)-5-[(E,3S)-4-(3-fluorophenyl)-3-hydroxybut-1-enyl]-1-[2-(4-hydroxybutylsulfanyl)ethyl]pyrrolidin-2-one
CID 57893900

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one (CID 144945271) is (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one is O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)SC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one?
The InChIKey is WLIBFDSHJBZGOD-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H20FNO3S/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1.
What are the key properties of (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one?
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 144945271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).