N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C10H16F2N2O3S — CID 107482945

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)N(CCO)CC(F)F
InChIInChI=1S/C10H16F2N2O3S/c11-8(12)7-14(3-5-15)9(16)1-2-13-4-6-18-10(13)17/h8,15H,1-7H2
InChIKeyPNCBYTDQAPDDSY-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.63
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 107482945) has the molecular formula C10H16F2N2O3S and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID107482945
Molecular FormulaC10H16F2N2O3S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)N(CCO)CC(F)F
InChIInChI=1S/C10H16F2N2O3S/c11-8(12)7-14(3-5-15)9(16)1-2-13-4-6-18-10(13)17/h8,15H,1-7H2
InChIKeyPNCBYTDQAPDDSY-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 107482945) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is PNCBYTDQAPDDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3S/c11-8(12)7-14(3-5-15)9(16)1-2-13-4-6-18-10(13)17/h8,15H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 107482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).