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

C17H16FN3OS — CID 135989261

IUPAC(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)[C@](C)(c2ccccn2)S1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-11(12-6-8-13(18)9-7-12)20-16-21-15(22)17(2,23-16)14-5-3-4-10-19-14/h3-11H,1-2H3,(H,20,21,22)/t11-,17-/m0/s1
InChIKeyDZKGGDSNEGWXCO-GTNSWQLSSA-N
MW329.40 g/mol
LogP3.42
Rot. Bonds3

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

(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989261) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID135989261
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)[C@](C)(c2ccccn2)S1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3OS/c1-11(12-6-8-13(18)9-7-12)20-16-21-15(22)17(2,23-16)14-5-3-4-10-19-14/h3-11H,1-2H3,(H,20,21,22)/t11-,17-/m0/s1
InChIKeyDZKGGDSNEGWXCO-GTNSWQLSSA-N
XLogP3.42
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazolidin-4-one
CID 135989483
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(1-hydroxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 143147233
1-[4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]phenyl]cyclopropane-1-carboxamide
CID 135556845
(5S)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one;(5R)-5-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 159151855
(5S)-5-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]imino-5-pyridin-4-yl-1,3-thiazolidin-4-one
CID 135989664
(5S)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-2-ylethyl]imino-1,3-thiazolidin-4-one
CID 135999759
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449
5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
CID 135611046
4-[(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]-1-methylcyclohepta-2,4-diene-1-carboxamide
CID 143468574
5-methyl-2-[(1R)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513261
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
CID 135989340

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one (CID 135989261) is (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one is C[C@H](/N=C1\NC(=O)[C@](C)(c2ccccn2)S1)c1ccc(F)cc1.
What is the InChIKey of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is DZKGGDSNEGWXCO-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11(12-6-8-13(18)9-7-12)20-16-21-15(22)17(2,23-16)14-5-3-4-10-19-14/h3-11H,1-2H3,(H,20,21,22)/t11-,17-/m0/s1.
What are the key properties of (5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one?
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 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-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).