N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C6H9F3N2OS — CID 24697372

IUPACN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CSCN1
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h4,11H,1-3H2,(H,10,12)
InChIKeyOUGDJCNBOXOKPX-UHFFFAOYSA-N
MW214.21 g/mol
LogP0.33
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24697372) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID24697372
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC NameN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CSCN1
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h4,11H,1-3H2,(H,10,12)
InChIKeyOUGDJCNBOXOKPX-UHFFFAOYSA-N
XLogP0.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolidinecarboxamide
CID 9964101
(4S)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide
CID 145951907
Thiazolidin-3-yl(thiazolidin-4-yl)methanone
CID 6481656
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 43263478
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
N-butyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002789
N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 18752471
(4R)-1,3-Thiazolidine-4-carboxamide
CID 21340288
(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 59076072
2,2,2-trifluoro-N-[[(4R)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 59316828
(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
CID 59473895
2,2,2-trifluoro-N-thiazolidin-4-ylmethyl-acetamide
CID 72254565

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 24697372) is N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC(F)(F)F)C1CSCN1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OUGDJCNBOXOKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h4,11H,1-3H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 214.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24697372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).