(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one

C14H17FN2O2S — CID 143147233

IUPAC(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC(O)[C@]1(C)S/C(=N/[C@@H](C)c2ccc(F)cc2)NC1=O
InChIInChI=1S/C14H17FN2O2S/c1-8(10-4-6-11(15)7-5-10)16-13-17-12(19)14(3,20-13)9(2)18/h4-9,18H,1-3H3,(H,16,17,19)/t8-,9?,14-/m0/s1
InChIKeyGBDDHLWLIICOOZ-JBLYATSQSA-N
MW296.37 g/mol
LogP2.25
Rot. Bonds3

About (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one

(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 143147233) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID143147233
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC(O)[C@]1(C)S/C(=N/[C@@H](C)c2ccc(F)cc2)NC1=O
InChIInChI=1S/C14H17FN2O2S/c1-8(10-4-6-11(15)7-5-10)16-13-17-12(19)14(3,20-13)9(2)18/h4-9,18H,1-3H3,(H,16,17,19)/t8-,9?,14-/m0/s1
InChIKeyGBDDHLWLIICOOZ-JBLYATSQSA-N
XLogP2.25
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one (CID 143147233) is (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is CC(O)[C@]1(C)S/C(=N/[C@@H](C)c2ccc(F)cc2)NC1=O.
What is the InChIKey of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is GBDDHLWLIICOOZ-JBLYATSQSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-8(10-4-6-11(15)7-5-10)16-13-17-12(19)14(3,20-13)9(2)18/h4-9,18H,1-3H3,(H,16,17,19)/t8-,9?,14-/m0/s1.
What are the key properties of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one?
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).