N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C13H14F2N2O3S — CID 18093501

IUPACN-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O3S/c14-12(15)20-10-4-2-1-3-9(10)16-11(18)5-6-17-7-8-21-13(17)19/h1-4,12H,5-8H2,(H,16,18)
InChIKeyKHDZVTSTULYHHD-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18093501) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18093501
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O3S/c14-12(15)20-10-4-2-1-3-9(10)16-11(18)5-6-17-7-8-21-13(17)19/h1-4,12H,5-8H2,(H,16,18)
InChIKeyKHDZVTSTULYHHD-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 2710467
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116822
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
1-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470686
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
5-hydroxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid
CID 61406074
N-(2-methyl-3-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18097679
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18102547
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18093501) is N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is KHDZVTSTULYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c14-12(15)20-10-4-2-1-3-9(10)16-11(18)5-6-17-7-8-21-13(17)19/h1-4,12H,5-8H2,(H,16,18).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 316.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18093501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).