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

C7H10F2N2O3S — CID 103770387

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(O)C(F)F)CS1
InChIInChI=1S/C7H10F2N2O3S/c8-5(9)4(12)1-10-6(13)3-2-15-7(14)11-3/h3-5,12H,1-2H2,(H,10,13)(H,11,14)
InChIKeyNUQVJBXLYJELHJ-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.45
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 103770387) has the molecular formula C7H10F2N2O3S and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID103770387
Molecular FormulaC7H10F2N2O3S
Molecular Weight240.23 g/mol
Exact Mass240.04
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(O)C(F)F)CS1
InChIInChI=1S/C7H10F2N2O3S/c8-5(9)4(12)1-10-6(13)3-2-15-7(14)11-3/h3-5,12H,1-2H2,(H,10,13)(H,11,14)
InChIKeyNUQVJBXLYJELHJ-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
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

(2S)-2-amino-N-(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)butanamide
CID 59253801
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 63827767
2-[1,3-Thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258411
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103755811
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 103770465
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103795762
(2S)-2-amino-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103795772
N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103796480
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-4-methylsulfanylbutanamide
CID 103796489
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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 103770387) is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC(O)C(F)F)CS1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is NUQVJBXLYJELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3S/c8-5(9)4(12)1-10-6(13)3-2-15-7(14)11-3/h3-5,12H,1-2H2,(H,10,13)(H,11,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 240.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103770387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).