(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

C18H18FNO3S — CID 5068001

IUPAC(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCSC2c2ccccc2F)c1
InChIInChI=1S/C18H18FNO3S/c1-22-13-9-12(10-14(11-13)23-2)17(21)20-7-8-24-18(20)15-5-3-4-6-16(15)19/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyMXVRHFSTKYLAFG-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.73
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 5068001) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID5068001
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCSC2c2ccccc2F)c1
InChIInChI=1S/C18H18FNO3S/c1-22-13-9-12(10-14(11-13)23-2)17(21)20-7-8-24-18(20)15-5-3-4-6-16(15)19/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyMXVRHFSTKYLAFG-UHFFFAOYSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482577
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 7350573
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 5068001) is (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is COc1cc(OC)cc(C(=O)N2CCSC2c2ccccc2F)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is MXVRHFSTKYLAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-22-13-9-12(10-14(11-13)23-2)17(21)20-7-8-24-18(20)15-5-3-4-6-16(15)19/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 347.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 5068001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).