2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C21H25NO6S — CID 3856405

IUPAC2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2cccc(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C21H25NO6S/c1-24-15-8-6-7-14(19(15)27-4)21-22(18(23)12-29-21)11-13-9-16(25-2)20(28-5)17(10-13)26-3/h6-10,21H,11-12H2,1-5H3
InChIKeyCDZRSDHAZCUDNU-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.50
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3856405) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3856405
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2cccc(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C21H25NO6S/c1-24-15-8-6-7-14(19(15)27-4)21-22(18(23)12-29-21)11-13-9-16(25-2)20(28-5)17(10-13)26-3/h6-10,21H,11-12H2,1-5H3
InChIKeyCDZRSDHAZCUDNU-UHFFFAOYSA-N
XLogP3.50
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3836410
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 3856405) is 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1cc(CN2C(=O)CSC2c2cccc(OC)c2OC)cc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CDZRSDHAZCUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-24-15-8-6-7-14(19(15)27-4)21-22(18(23)12-29-21)11-13-9-16(25-2)20(28-5)17(10-13)26-3/h6-10,21H,11-12H2,1-5H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 419.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3856405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).