(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide

C15H17F3N2O2S — CID 97435322

IUPAC(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2S/c1-9(11-3-5-12(6-4-11)15(16,17)18)19-14(22)13-7-23-8-20(13)10(2)21/h3-6,9,13H,7-8H2,1-2H3,(H,19,22)/t9-,13+/m1/s1
InChIKeyKOWMWGGWUHKMKW-RNCFNFMXSA-N
MW346.37 g/mol
LogP2.80
Rot. Bonds3

About (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97435322) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97435322
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2S/c1-9(11-3-5-12(6-4-11)15(16,17)18)19-14(22)13-7-23-8-20(13)10(2)21/h3-6,9,13H,7-8H2,1-2H3,(H,19,22)/t9-,13+/m1/s1
InChIKeyKOWMWGGWUHKMKW-RNCFNFMXSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809261
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148
(E)-4-oxo-4-[1-[4-(trifluoromethyl)phenyl]ethylamino]but-2-enoic acid
CID 60941499
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424

Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide (CID 97435322) is (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KOWMWGGWUHKMKW-RNCFNFMXSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-9(11-3-5-12(6-4-11)15(16,17)18)19-14(22)13-7-23-8-20(13)10(2)21/h3-6,9,13H,7-8H2,1-2H3,(H,19,22)/t9-,13+/m1/s1.
What are the key properties of (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97435322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).