N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C8H12F2N2O3S — CID 103770465

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(O)C(F)F
InChIInChI=1S/C8H12F2N2O3S/c9-8(10)5(13)1-11-6(14)2-12-4-16-3-7(12)15/h5,8,13H,1-4H2,(H,11,14)
InChIKeyMIBLJPASERESKC-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.74
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 103770465) has the molecular formula C8H12F2N2O3S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID103770465
Molecular FormulaC8H12F2N2O3S
Molecular Weight254.26 g/mol
Exact Mass254.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(O)C(F)F
InChIInChI=1S/C8H12F2N2O3S/c9-8(10)5(13)1-11-6(14)2-12-4-16-3-7(12)15/h5,8,13H,1-4H2,(H,11,14)
InChIKeyMIBLJPASERESKC-UHFFFAOYSA-N
XLogP-0.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726316
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103755811
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103770387
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103795762
N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103796480
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375
1-Pyrrolidin-1-yl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethanone
CID 104384065
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 104858043
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 107479321
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 107482700

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 103770465) is N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is MIBLJPASERESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3S/c9-8(10)5(13)1-11-6(14)2-12-4-16-3-7(12)15/h5,8,13H,1-4H2,(H,11,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 254.26 g/mol, XLogP of -0.74, 5 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)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 103770465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).