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

C13H15FN2O2S — CID 9245524

IUPACN-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c14-11-4-2-1-3-10(11)9-15-12(17)5-6-16-7-8-19-13(16)18/h1-4H,5-9H2,(H,15,17)
InChIKeyWOGUHCKZDZJTPB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.00
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 9245524) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID9245524
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c14-11-4-2-1-3-10(11)9-15-12(17)5-6-16-7-8-19-13(16)18/h1-4H,5-9H2,(H,15,17)
InChIKeyWOGUHCKZDZJTPB-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.00
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

2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
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3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
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3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
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N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
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3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
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N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116656
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
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N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 9245524) is N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is WOGUHCKZDZJTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-11-4-2-1-3-10(11)9-15-12(17)5-6-16-7-8-19-13(16)18/h1-4H,5-9H2,(H,15,17).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 282.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 9245524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).