[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C20H20F3NO4S — CID 122330593

IUPAC[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H20F3NO4S/c1-26-15-11-17(28-3)16(27-2)10-14(15)19-24(7-8-29-19)18(25)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyGHLFHDRCGYTGRX-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.62
Rot. Bonds5

About [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330593) has the molecular formula C20H20F3NO4S and a molecular weight of 427.44 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330593
Molecular FormulaC20H20F3NO4S
Molecular Weight427.44 g/mol
Exact Mass427.11
IUPAC Name[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H20F3NO4S/c1-26-15-11-17(28-3)16(27-2)10-14(15)19-24(7-8-29-19)18(25)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11,19H,7-8H2,1-3H3
InChIKeyGHLFHDRCGYTGRX-UHFFFAOYSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
3-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 122330771
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330593) is [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1cc(OC)c(C2SCCN2C(=O)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is GHLFHDRCGYTGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4S/c1-26-15-11-17(28-3)16(27-2)10-14(15)19-24(7-8-29-19)18(25)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11,19H,7-8H2,1-3H3.
What are the key properties of [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 427.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).