3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one

C18H19NO3S — CID 3364684

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO3S/c1-21-15-9-8-14(16(10-15)22-2)11-19-17(20)12-23-18(19)13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyHVSSSBBJMFRXQF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.48
Rot. Bonds5

About 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one

3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3364684) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3364684
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO3S/c1-21-15-9-8-14(16(10-15)22-2)11-19-17(20)12-23-18(19)13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyHVSSSBBJMFRXQF-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.48
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-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 4679016
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one (CID 3364684) is 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CSC2c2ccccc2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HVSSSBBJMFRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-21-15-9-8-14(16(10-15)22-2)11-19-17(20)12-23-18(19)13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 329.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3364684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).