(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C19H19F3N2OS — CID 1025746

IUPAC(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2OS/c1-12-6-7-16(13(2)10-12)17-24(8-9-26-17)18(25)23-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11,17H,8-9H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyOZKMVDXLJLGTAZ-KRWDZBQOSA-N
MW380.44 g/mol
LogP5.60
Rot. Bonds2

About (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 1025746) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID1025746
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C19H19F3N2OS/c1-12-6-7-16(13(2)10-12)17-24(8-9-26-17)18(25)23-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11,17H,8-9H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyOZKMVDXLJLGTAZ-KRWDZBQOSA-N
XLogP5.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
2-(2,4-dimethylphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4190131
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4107138
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111
(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 97496235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 1025746) is (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is Cc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is OZKMVDXLJLGTAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c1-12-6-7-16(13(2)10-12)17-24(8-9-26-17)18(25)23-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11,17H,8-9H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).