(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone

C18H16F3NO2S — CID 4080267

IUPAC(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2CCSC2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16F3NO2S/c1-24-15-7-3-4-12(11-15)16(23)22-8-9-25-17(22)13-5-2-6-14(10-13)18(19,20)21/h2-7,10-11,17H,8-9H2,1H3
InChIKeyAQYBHNBAWMGSJW-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.60
Rot. Bonds3

About (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone

(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 4080267) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID4080267
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2CCSC2c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16F3NO2S/c1-24-15-7-3-4-12(11-15)16(23)22-8-9-25-17(22)13-5-2-6-14(10-13)18(19,20)21/h2-7,10-11,17H,8-9H2,1H3
InChIKeyAQYBHNBAWMGSJW-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 1024182
[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 5073983
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 4080267) is (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is COc1cccc(C(=O)N2CCSC2c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is AQYBHNBAWMGSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-24-15-7-3-4-12(11-15)16(23)22-8-9-25-17(22)13-5-2-6-14(10-13)18(19,20)21/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 367.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4080267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).