(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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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).