2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C21H18FNO2S — CID 87150934

IUPAC2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(F)c1C1SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H18FNO2S/c1-25-18-11-5-10-17(22)20(18)21-23(19(24)13-26-21)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,21H,12-13H2,1H3
InChIKeyNYDOHIIXBODWJA-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.76
Rot. Bonds4

About 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 87150934) has the molecular formula C21H18FNO2S and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID87150934
Molecular FormulaC21H18FNO2S
Molecular Weight367.44 g/mol
Exact Mass367.10
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(F)c1C1SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H18FNO2S/c1-25-18-11-5-10-17(22)20(18)21-23(19(24)13-26-21)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,21H,12-13H2,1H3
InChIKeyNYDOHIIXBODWJA-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
2-(3,4-Dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 9906009
1-(2-(3,4-Dimethylphenyl)thiazolidin-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 44418123
2-(3,4-Dimethylphenyl)-3-(4-methoxyphenethyl)-2-methylthiazolidin-4-one
CID 44418146
2-(3,4-Dimethylphenyl)-3-[(2-methoxyphenyl)methoxy]-1,3-thiazolidin-4-one
CID 44418196
1-[4-(2-Methoxyphenyl)piperidin-1-yl]-2-(naphthalen-1-ylmethylsulfanyl)ethanone
CID 2728123
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1231270
(E)-1-[2-(3,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 44418130
1-[2-(3,4-Dimethylphenyl)-1,3-thiazolidin-3-yl]-4-(4-methoxyphenyl)butan-1-one
CID 44418131
2-(2,6-Difluorophenyl)-3-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 11848172
(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1231154
N-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 78604248

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 87150934) is 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is COc1cccc(F)c1C1SCC(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is NYDOHIIXBODWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-25-18-11-5-10-17(22)20(18)21-23(19(24)13-26-21)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,21H,12-13H2,1H3.
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 367.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).