(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide

C15H17F3N2O2S — CID 124885156

IUPAC(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2S/c1-10(21)20-9-23-8-12(20)13(22)19-14(2,15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,22)/t12-,14-/m1/s1
InChIKeyOTBZBLSKCKRVBX-TZMCWYRMSA-N
MW346.37 g/mol
LogP2.50
Rot. Bonds3

About (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide

(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124885156) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID124885156
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H17F3N2O2S/c1-10(21)20-9-23-8-12(20)13(22)19-14(2,15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,22)/t12-,14-/m1/s1
InChIKeyOTBZBLSKCKRVBX-TZMCWYRMSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 124885156) is (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OTBZBLSKCKRVBX-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-10(21)20-9-23-8-12(20)13(22)19-14(2,15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,22)/t12-,14-/m1/s1.
What are the key properties of (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124885156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).