2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C15H21NO5S — CID 3682766

IUPAC2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2C(OC)OC)ccc1O
InChIInChI=1S/C15H21NO5S/c1-19-12-8-10(4-5-11(12)17)6-7-16-13(18)9-22-14(16)15(20-2)21-3/h4-5,8,14-15,17H,6-7,9H2,1-3H3
InChIKeyHKWXDUBOCKHTPK-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.46
Rot. Bonds7

About 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 3682766) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID3682766
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2C(OC)OC)ccc1O
InChIInChI=1S/C15H21NO5S/c1-19-12-8-10(4-5-11(12)17)6-7-16-13(18)9-22-14(16)15(20-2)21-3/h4-5,8,14-15,17H,6-7,9H2,1-3H3
InChIKeyHKWXDUBOCKHTPK-UHFFFAOYSA-N
XLogP1.46
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 3682766) is 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1cc(CCN2C(=O)CSC2C(OC)OC)ccc1O.
What is the InChIKey of 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is HKWXDUBOCKHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-19-12-8-10(4-5-11(12)17)6-7-16-13(18)9-22-14(16)15(20-2)21-3/h4-5,8,14-15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 327.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3682766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).