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

C17H21FN2O2S — CID 135611129

IUPAC2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C2(O)CCCC2)S1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1
InChIKeyWWOQHILNLFODCY-CHPOKUKFSA-N
MW336.43 g/mol
LogP3.17
Rot. Bonds3

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

2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135611129) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135611129
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(C2(O)CCCC2)S1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1
InChIKeyWWOQHILNLFODCY-CHPOKUKFSA-N
XLogP3.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.17
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 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one (CID 135611129) is 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one is C[C@H](/N=C1\NC(=O)C(C)(C2(O)CCCC2)S1)c1ccc(F)cc1.
What is the InChIKey of 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is WWOQHILNLFODCY-CHPOKUKFSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-11(12-5-7-13(18)8-6-12)19-15-20-14(21)16(2,23-15)17(22)9-3-4-10-17/h5-8,11,22H,3-4,9-10H2,1-2H3,(H,19,20,21)/t11-,16?/m0/s1.
What are the key properties of 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one?
2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 336.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxycyclopentyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135611129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).