2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one

C19H22N2O4S — CID 87150687

IUPAC2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CN2C(=O)CSC2c2c(OC)cccc2OC)nc1
InChIInChI=1S/C19H22N2O4S/c1-4-25-14-9-8-13(20-10-14)11-21-17(22)12-26-19(21)18-15(23-2)6-5-7-16(18)24-3/h5-10,19H,4,11-12H2,1-3H3
InChIKeyJXHBRYLZAZIUSF-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.27
Rot. Bonds7

About 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one

2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 87150687) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
PubChem CID87150687
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CN2C(=O)CSC2c2c(OC)cccc2OC)nc1
InChIInChI=1S/C19H22N2O4S/c1-4-25-14-9-8-13(20-10-14)11-21-17(22)12-26-19(21)18-15(23-2)6-5-7-16(18)24-3/h5-10,19H,4,11-12H2,1-3H3
InChIKeyJXHBRYLZAZIUSF-UHFFFAOYSA-N
XLogP3.27
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87150884
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87152821
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one (CID 87150687) is 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one is CCOc1ccc(CN2C(=O)CSC2c2c(OC)cccc2OC)nc1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is JXHBRYLZAZIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-25-14-9-8-13(20-10-14)11-21-17(22)12-26-19(21)18-15(23-2)6-5-7-16(18)24-3/h5-10,19H,4,11-12H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 374.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-[(5-ethoxy-2-pyridinyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).