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

C7H9F3N2O3S — CID 103755811

IUPAC2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(O)C(F)(F)F)CS1
InChIInChI=1S/C7H9F3N2O3S/c8-7(9,10)4(13)1-11-5(14)3-2-16-6(15)12-3/h3-4,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeySPCYNPPEDPIESZ-UHFFFAOYSA-N
MW258.22 g/mol
LogP-0.15
Rot. Bonds3

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

2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103755811) has the molecular formula C7H9F3N2O3S and a molecular weight of 258.22 g/mol. Its IUPAC name is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103755811
Molecular FormulaC7H9F3N2O3S
Molecular Weight258.22 g/mol
Exact Mass258.03
IUPAC Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC(O)C(F)(F)F)CS1
InChIInChI=1S/C7H9F3N2O3S/c8-7(9,10)4(13)1-11-5(14)3-2-16-6(15)12-3/h3-4,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeySPCYNPPEDPIESZ-UHFFFAOYSA-N
XLogP-0.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 5-0.15
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
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103770387
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 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide (CID 103755811) is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC(O)C(F)(F)F)CS1.
What is the InChIKey of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SPCYNPPEDPIESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3S/c8-7(9,10)4(13)1-11-5(14)3-2-16-6(15)12-3/h3-4,13H,1-2H2,(H,11,14)(H,12,15).
What are the key properties of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide?
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 258.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103755811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).