N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C9H14F2N2O3S — CID 103769998

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(O)C(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-8(11)6(14)5-12-7(15)1-2-13-3-4-17-9(13)16/h6,8,14H,1-5H2,(H,12,15)
InChIKeyLZBNVQOMCDEQOO-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.29
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 103769998) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID103769998
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(O)C(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-8(11)6(14)5-12-7(15)1-2-13-3-4-17-9(13)16/h6,8,14H,1-5H2,(H,12,15)
InChIKeyLZBNVQOMCDEQOO-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726316
3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769666
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 103770465
N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915356
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107482945
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248475
3-(2-amino-2-oxoethyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 113249098
N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113462684
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
3-(3-Amino-2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 16795706
3-[(2S)-3-amino-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
CID 28112456
3-[2-Hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
CID 43165949

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 103769998) is N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is LZBNVQOMCDEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/c10-8(11)6(14)5-12-7(15)1-2-13-3-4-17-9(13)16/h6,8,14H,1-5H2,(H,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 103769998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).