N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C14H17FN2O2S — CID 18093564

IUPACN-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(NC(=O)CCN1CCSC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2S/c1-10(11-2-4-12(15)5-3-11)16-13(18)6-7-17-8-9-20-14(17)19/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyXXRQOBLNJZUFEI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18093564) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18093564
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(NC(=O)CCN1CCSC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2S/c1-10(11-2-4-12(15)5-3-11)16-13(18)6-7-17-8-9-20-14(17)19/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyXXRQOBLNJZUFEI-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093617
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 95153761
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46485585
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794
propan-2-yl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 112723017
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18093564) is N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(NC(=O)CCN1CCSC1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is XXRQOBLNJZUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-10(11-2-4-12(15)5-3-11)16-13(18)6-7-17-8-9-20-14(17)19/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18093564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).