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

C8H12F2N2O3S — CID 104858043

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(F)(F)CO
InChIInChI=1S/C8H12F2N2O3S/c9-8(10,4-13)3-11-6(14)1-12-5-16-2-7(12)15/h13H,1-5H2,(H,11,14)
InChIKeySSXZSIRRNCBCEF-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.74
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 104858043) has the molecular formula C8H12F2N2O3S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID104858043
Molecular FormulaC8H12F2N2O3S
Molecular Weight254.26 g/mol
Exact Mass254.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCC(F)(F)CO
InChIInChI=1S/C8H12F2N2O3S/c9-8(10,4-13)3-11-6(14)1-12-5-16-2-7(12)15/h13H,1-5H2,(H,11,14)
InChIKeySSXZSIRRNCBCEF-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
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 103770465
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104862822
N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 106176931
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 107479321
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107483090
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248475
N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113462684
N-(3-amino-2,2-difluoropropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120409656
N-(3-amino-2,2-difluoropropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 120409657
N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
CID 122522048

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 104858043) is N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SSXZSIRRNCBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3S/c9-8(10,4-13)3-11-6(14)1-12-5-16-2-7(12)15/h13H,1-5H2,(H,11,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2,2-difluoro-3-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-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 104858043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).