tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate

C11H17F3N2O3S — CID 59316833

IUPACtert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3S/c1-10(2,3)19-9(18)16-6-20-5-7(16)4-15-8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,17)/t7-/m1/s1
InChIKeyQNDKYOJGFKDNOZ-SSDOTTSWSA-N
MW314.33 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate (PubChem CID 59316833) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate
PubChem CID59316833
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Nametert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1CNC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3S/c1-10(2,3)19-9(18)16-6-20-5-7(16)4-15-8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,17)/t7-/m1/s1
InChIKeyQNDKYOJGFKDNOZ-SSDOTTSWSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate (CID 59316833) is tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CSC[C@H]1CNC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate?
The InChIKey is QNDKYOJGFKDNOZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c1-10(2,3)19-9(18)16-6-20-5-7(16)4-15-8(17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,17)/t7-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 59316833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).