[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

C18H16F3NO2S — CID 122330469

IUPAC[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCSC2c2ccc(C)cc2)c1F
InChIInChI=1S/C18H16F3NO2S/c1-10-3-5-11(6-4-10)18-22(7-8-25-18)17(23)12-9-13(19)15(21)16(24-2)14(12)20/h3-6,9,18H,7-8H2,1-2H3
InChIKeyZINQUJRFKRDXMP-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.31
Rot. Bonds3

About [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone

[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (PubChem CID 122330469) 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]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
PubChem CID122330469
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)N2CCSC2c2ccc(C)cc2)c1F
InChIInChI=1S/C18H16F3NO2S/c1-10-3-5-11(6-4-10)18-22(7-8-25-18)17(23)12-9-13(19)15(21)16(24-2)14(12)20/h3-6,9,18H,7-8H2,1-2H3
InChIKeyZINQUJRFKRDXMP-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone (CID 122330469) is [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is COc1c(F)c(F)cc(C(=O)N2CCSC2c2ccc(C)cc2)c1F.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The InChIKey is ZINQUJRFKRDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-10-3-5-11(6-4-10)18-22(7-8-25-18)17(23)12-9-13(19)15(21)16(24-2)14(12)20/h3-6,9,18H,7-8H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone has a molecular weight of 367.39 g/mol, XLogP of 4.31, 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]-(2,4,5-trifluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 122330469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).