N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C7H10F2N2O3S — CID 104862822

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(F)(F)CO)CS1
InChIInChI=1S/C7H10F2N2O3S/c8-7(9,3-12)2-10-5(13)4-1-15-6(14)11-4/h4,12H,1-3H2,(H,10,13)(H,11,14)
InChIKeyWFPHUMGZXSUPJC-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.44
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 104862822) has the molecular formula C7H10F2N2O3S and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID104862822
Molecular FormulaC7H10F2N2O3S
Molecular Weight240.23 g/mol
Exact Mass240.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(F)(F)CO)CS1
InChIInChI=1S/C7H10F2N2O3S/c8-7(9,3-12)2-10-5(13)4-1-15-6(14)11-4/h4,12H,1-3H2,(H,10,13)(H,11,14)
InChIKeyWFPHUMGZXSUPJC-UHFFFAOYSA-N
XLogP-0.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 24697372
(4R)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 28187838
(4S)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 28187839
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 42947817
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54871732
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
CID 63227192
N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 81434239
N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103630036
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103755811
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 104862822) is N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC(F)(F)CO)CS1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is WFPHUMGZXSUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3S/c8-7(9,3-12)2-10-5(13)4-1-15-6(14)11-4/h4,12H,1-3H2,(H,10,13)(H,11,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 240.23 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 104862822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).