N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C8H12F2N2O3S — CID 107483090

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CCO)CC(F)F)CS1
InChIInChI=1S/C8H12F2N2O3S/c9-6(10)3-12(1-2-13)7(14)5-4-16-8(15)11-5/h5-6,13H,1-4H2,(H,11,15)
InChIKeyBDQJOXLFABBWLM-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.10
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 107483090) has the molecular formula C8H12F2N2O3S and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID107483090
Molecular FormulaC8H12F2N2O3S
Molecular Weight254.26 g/mol
Exact Mass254.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CCO)CC(F)F)CS1
InChIInChI=1S/C8H12F2N2O3S/c9-6(10)3-12(1-2-13)7(14)5-4-16-8(15)11-5/h5-6,13H,1-4H2,(H,11,15)
InChIKeyBDQJOXLFABBWLM-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 52
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
2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 162414677
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 54871664
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54871732
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54872029
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60944621
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60946577
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
(2S)-2-amino-N-(2-hydroxyethyl)-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165148
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 61607919
N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 61608175
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 63827767

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 107483090) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)N(CCO)CC(F)F)CS1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is BDQJOXLFABBWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3S/c9-6(10)3-12(1-2-13)7(14)5-4-16-8(15)11-5/h5-6,13H,1-4H2,(H,11,15).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107483090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).