N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C12H12F2N2O2S — CID 18102547

IUPACN-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O2S/c13-8-5-9(14)7-10(6-8)15-11(17)1-2-16-3-4-19-12(16)18/h5-7H,1-4H2,(H,15,17)
InChIKeySJDKHXPLBQIVOU-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.46
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18102547) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18102547
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC NameN-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O2S/c13-8-5-9(14)7-10(6-8)15-11(17)1-2-16-3-4-19-12(16)18/h5-7H,1-4H2,(H,15,17)
InChIKeySJDKHXPLBQIVOU-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.46
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-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300
N-(4-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 47120394
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
5-hydroxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid
CID 61406074
N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 122149972
N-[4-(dimethylsulfamoyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093524
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46696387
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17423799
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
methyl 2-[[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoyl]amino]acetate
CID 51241311

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18102547) is N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is SJDKHXPLBQIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-8-5-9(14)7-10(6-8)15-11(17)1-2-16-3-4-19-12(16)18/h5-7H,1-4H2,(H,15,17).
What are the key properties of N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 286.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18102547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).