3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one

C17H15F2NO2S — CID 3840878

IUPAC3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H15F2NO2S/c1-22-13-6-2-4-11(8-13)17-20(15(21)10-23-17)9-12-5-3-7-14(18)16(12)19/h2-8,17H,9-10H2,1H3
InChIKeyFDJWOEFDUDAVKI-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.75
Rot. Bonds4

About 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one

3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3840878) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3840878
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2Cc2cccc(F)c2F)c1
InChIInChI=1S/C17H15F2NO2S/c1-22-13-6-2-4-11(8-13)17-20(15(21)10-23-17)9-12-5-3-7-14(18)16(12)19/h2-8,17H,9-10H2,1H3
InChIKeyFDJWOEFDUDAVKI-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3840878) is 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2Cc2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is FDJWOEFDUDAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c1-22-13-6-2-4-11(8-13)17-20(15(21)10-23-17)9-12-5-3-7-14(18)16(12)19/h2-8,17H,9-10H2,1H3.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 335.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3840878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).