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

C16H17NO4S — CID 3820652

IUPAC2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2ccoc2)ccc1O
InChIInChI=1S/C16H17NO4S/c1-20-14-8-11(2-3-13(14)18)4-6-17-15(19)10-22-16(17)12-5-7-21-9-12/h2-3,5,7-9,16,18H,4,6,10H2,1H3
InChIKeyPVLTZYMMWWOSLX-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.81
Rot. Bonds5

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

2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 3820652) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID3820652
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2ccoc2)ccc1O
InChIInChI=1S/C16H17NO4S/c1-20-14-8-11(2-3-13(14)18)4-6-17-15(19)10-22-16(17)12-5-7-21-9-12/h2-3,5,7-9,16,18H,4,6,10H2,1H3
InChIKeyPVLTZYMMWWOSLX-UHFFFAOYSA-N
XLogP2.81
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)-1,3-thiazolidin-4-one
CID 3679555
2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3792645
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3682766
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 742773
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2881512
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6935348

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 3820652) is 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1cc(CCN2C(=O)CSC2c2ccoc2)ccc1O.
What is the InChIKey of 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is PVLTZYMMWWOSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-14-8-11(2-3-13(14)18)4-6-17-15(19)10-22-16(17)12-5-7-21-9-12/h2-3,5,7-9,16,18H,4,6,10H2,1H3.
What are the key properties of 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 319.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3820652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).