2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C23H19F3N2O2S — CID 4069010

IUPAC2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2S/c24-23(25,26)17-7-5-8-18(15-17)27-22(29)28-12-13-31-21(28)16-6-4-11-20(14-16)30-19-9-2-1-3-10-19/h1-11,14-15,21H,12-13H2,(H,27,29)
InChIKeyXUTVLXXMYRWXKS-UHFFFAOYSA-N
MW444.48 g/mol
LogP6.78
Rot. Bonds4

About 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 4069010) has the molecular formula C23H19F3N2O2S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID4069010
Molecular FormulaC23H19F3N2O2S
Molecular Weight444.48 g/mol
Exact Mass444.11
IUPAC Name2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2S/c24-23(25,26)17-7-5-8-18(15-17)27-22(29)28-12-13-31-21(28)16-6-4-11-20(14-16)30-19-9-2-1-3-10-19/h1-11,14-15,21H,12-13H2,(H,27,29)
InChIKeyXUTVLXXMYRWXKS-UHFFFAOYSA-N
XLogP6.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4107138
(2R)-N-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7238468
(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1025746
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 4069010) is 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is XUTVLXXMYRWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2S/c24-23(25,26)17-7-5-8-18(15-17)27-22(29)28-12-13-31-21(28)16-6-4-11-20(14-16)30-19-9-2-1-3-10-19/h1-11,14-15,21H,12-13H2,(H,27,29).
What are the key properties of 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4069010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).