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

C18H19NO2S2 — CID 3396492

IUPAC3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CN1C(=O)CSC1c1ccc(SC)cc1
InChIInChI=1S/C18H19NO2S2/c1-21-16-6-4-3-5-14(16)11-19-17(20)12-23-18(19)13-7-9-15(22-2)10-8-13/h3-10,18H,11-12H2,1-2H3
InChIKeyRCBRIXZMPSRFBU-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.19
Rot. Bonds5

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

3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3396492) has the molecular formula C18H19NO2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID3396492
Molecular FormulaC18H19NO2S2
Molecular Weight345.49 g/mol
Exact Mass345.09
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CN1C(=O)CSC1c1ccc(SC)cc1
InChIInChI=1S/C18H19NO2S2/c1-21-16-6-4-3-5-14(16)11-19-17(20)12-23-18(19)13-7-9-15(22-2)10-8-13/h3-10,18H,11-12H2,1-2H3
InChIKeyRCBRIXZMPSRFBU-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 4679016
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
3-[(2-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazinan-4-one
CID 3721864
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87152821
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 23734588
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 3396492) is 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is COc1ccccc1CN1C(=O)CSC1c1ccc(SC)cc1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is RCBRIXZMPSRFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S2/c1-21-16-6-4-3-5-14(16)11-19-17(20)12-23-18(19)13-7-9-15(22-2)10-8-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 345.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3396492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).