(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C8H11F3N2O3S — CID 61204589

IUPAC(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H11F3N2O3S/c1-12(3-8(9,10)11)7(16)13-4-17-2-5(13)6(14)15/h5H,2-4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyGUZMNKSUJNSTCX-YFKPBYRVSA-N
MW272.25 g/mol
LogP1.06
Rot. Bonds2

About (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61204589) has the molecular formula C8H11F3N2O3S and a molecular weight of 272.25 g/mol. Its IUPAC name is (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61204589
Molecular FormulaC8H11F3N2O3S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC Name(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H11F3N2O3S/c1-12(3-8(9,10)11)7(16)13-4-17-2-5(13)6(14)15/h5H,2-4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyGUZMNKSUJNSTCX-YFKPBYRVSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104864060
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155
4-[2,2-dimethylpropyl(methyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904813
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404
tert-butyl (4R)-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 95291713
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61204589) is (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(CC(F)(F)F)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GUZMNKSUJNSTCX-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F3N2O3S/c1-12(3-8(9,10)11)7(16)13-4-17-2-5(13)6(14)15/h5H,2-4H2,1H3,(H,14,15)/t5-/m0/s1.
What are the key properties of (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61204589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).