(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide

C11H17F3N2O2S — CID 95339695

IUPAC(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-10(2,3)15-9(18)7-5-19-6-16(7)8(17)4-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyHZOAFWPIMLSDLK-ZETCQYMHSA-N
MW298.33 g/mol
LogP1.75
Rot. Bonds2

About (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95339695) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95339695
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-10(2,3)15-9(18)7-5-19-6-16(7)8(17)4-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyHZOAFWPIMLSDLK-ZETCQYMHSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
CID 56826360
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 24697372
(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 59076072
(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
CID 59473895
2-[2-Oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
CID 72295296
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 142040155
(4R)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 28187838
(4S)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 28187839
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 42947817
tert-butyl (4S)-4-(2,2,2-trifluoroethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 53566984
N-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)propanoyl]-1,3-thiazolidine-4-carboxamide
CID 53613317

Frequently Asked Questions

What is the IUPAC name of (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide (CID 95339695) is (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC(F)(F)F.
What is the InChIKey of (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HZOAFWPIMLSDLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-10(2,3)15-9(18)7-5-19-6-16(7)8(17)4-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)/t7-/m0/s1.
What are the key properties of (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95339695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).