3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one

C20H23NO3S — CID 87150798

IUPAC3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-20(2)19(22)21(13-14-9-6-5-7-10-14)18(25-20)17-15(23-3)11-8-12-16(17)24-4/h5-12,18H,13H2,1-4H3
InChIKeyJERLLDPXSXPIDJ-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.26
Rot. Bonds5

About 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one

3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 87150798) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID87150798
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-20(2)19(22)21(13-14-9-6-5-7-10-14)18(25-20)17-15(23-3)11-8-12-16(17)24-4/h5-12,18H,13H2,1-4H3
InChIKeyJERLLDPXSXPIDJ-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 87150981
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
CID 3393859
(4S)-1-[(4-chlorophenyl)methyl]-3,3-difluoro-4-(2-methoxyphenyl)azetidin-2-one
CID 2484106
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione
CID 15662343
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
CID 175312070
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
CID 69083465
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one (CID 87150798) is 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SC(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is JERLLDPXSXPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-20(2)19(22)21(13-14-9-6-5-7-10-14)18(25-20)17-15(23-3)11-8-12-16(17)24-4/h5-12,18H,13H2,1-4H3.
What are the key properties of 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one?
3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 357.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2,6-dimethoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).