[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone

C18H16F3NO2S — CID 122330459

IUPAC[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO2S/c1-12-5-7-13(8-6-12)17-22(9-10-25-17)16(23)14-3-2-4-15(11-14)24-18(19,20)21/h2-8,11,17H,9-10H2,1H3
InChIKeyJADHBWJFJBTCEX-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.78
Rot. Bonds3

About [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone

[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 122330459) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID122330459
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO2S/c1-12-5-7-13(8-6-12)17-22(9-10-25-17)16(23)14-3-2-4-15(11-14)24-18(19,20)21/h2-8,11,17H,9-10H2,1H3
InChIKeyJADHBWJFJBTCEX-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 5073983
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 1024182
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
(2S)-N-thiophen-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 99986038
[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7350041

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone (CID 122330459) is [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone is Cc1ccc(C2SCCN2C(=O)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is JADHBWJFJBTCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-12-5-7-13(8-6-12)17-22(9-10-25-17)16(23)14-3-2-4-15(11-14)24-18(19,20)21/h2-8,11,17H,9-10H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone?
[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 367.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 122330459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).