3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one

C17H17NO3S — CID 4272564

IUPAC3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2Cc2ccccc2)ccc1O
InChIInChI=1S/C17H17NO3S/c1-21-15-9-13(7-8-14(15)19)17-18(16(20)11-22-17)10-12-5-3-2-4-6-12/h2-9,17,19H,10-11H2,1H3
InChIKeyWMWJJQSFWBSKPI-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.17
Rot. Bonds4

About 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one

3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4272564) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4272564
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2Cc2ccccc2)ccc1O
InChIInChI=1S/C17H17NO3S/c1-21-15-9-13(7-8-14(15)19)17-18(16(20)11-22-17)10-12-5-3-2-4-6-12/h2-9,17,19H,10-11H2,1H3
InChIKeyWMWJJQSFWBSKPI-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one (CID 4272564) is 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2Cc2ccccc2)ccc1O.
What is the InChIKey of 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WMWJJQSFWBSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-21-15-9-13(7-8-14(15)19)17-18(16(20)11-22-17)10-12-5-3-2-4-6-12/h2-9,17,19H,10-11H2,1H3.
What are the key properties of 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 315.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4272564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).