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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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).