N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

C18H17F3N2O2S — CID 86264827

IUPACN-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)N1CCSC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-4-2-3-5-15(12)22-17(24)23-10-11-26-16(23)13-6-8-14(9-7-13)25-18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,24)
InChIKeyGEEPNJFXCMNSCB-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.17
Rot. Bonds3

About N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 86264827) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID86264827
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)N1CCSC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-12-4-2-3-5-15(12)22-17(24)23-10-11-26-16(23)13-6-8-14(9-7-13)25-18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,24)
InChIKeyGEEPNJFXCMNSCB-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 99986038
N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331362
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (CID 86264827) is N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is Cc1ccccc1NC(=O)N1CCSC1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is GEEPNJFXCMNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-12-4-2-3-5-15(12)22-17(24)23-10-11-26-16(23)13-6-8-14(9-7-13)25-18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 86264827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).