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

C18H18FNO3S — CID 4526194

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
SMILESCOc1cccc(C2SCCN2C(=O)c2cccc(F)c2)c1OC
InChIInChI=1S/C18H18FNO3S/c1-22-15-8-4-7-14(16(15)23-2)18-20(9-10-24-18)17(21)12-5-3-6-13(19)11-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBGWBACWPRWWVHT-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.73
Rot. Bonds4

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

[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone (PubChem CID 4526194) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
PubChem CID4526194
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
SMILESCOc1cccc(C2SCCN2C(=O)c2cccc(F)c2)c1OC
InChIInChI=1S/C18H18FNO3S/c1-22-15-8-4-7-14(16(15)23-2)18-20(9-10-24-18)17(21)12-5-3-6-13(19)11-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBGWBACWPRWWVHT-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

(3-bromophenyl)-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7217585
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
[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
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279
1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 3320188
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593
N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
3-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 122330771

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone (CID 4526194) is [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone is COc1cccc(C2SCCN2C(=O)c2cccc(F)c2)c1OC.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone?
The InChIKey is BGWBACWPRWWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-22-15-8-4-7-14(16(15)23-2)18-20(9-10-24-18)17(21)12-5-3-6-13(19)11-12/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone?
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)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 [2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 4526194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).