(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C8H13F3N2OS — CID 59076072

IUPAC(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCN[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-7(2)5(13-4-15-7)6(14)12-3-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1
InChIKeyASAAPPNBXCPHPW-RXMQYKEDSA-N
MW242.27 g/mol
LogP1.11
Rot. Bonds2

About (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 59076072) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID59076072
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCN[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-7(2)5(13-4-15-7)6(14)12-3-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1
InChIKeyASAAPPNBXCPHPW-RXMQYKEDSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 59076072) is (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC1(C)SCN[C@@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ASAAPPNBXCPHPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-7(2)5(13-4-15-7)6(14)12-3-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14)/t5-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 59076072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).