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

C16H17NO3S2 — CID 3873599

IUPAC3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2cccs2)ccc1O
InChIInChI=1S/C16H17NO3S2/c1-20-13-9-11(4-5-12(13)18)6-7-17-15(19)10-22-16(17)14-3-2-8-21-14/h2-5,8-9,16,18H,6-7,10H2,1H3
InChIKeyPBHMCKNMOVLZJT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.28
Rot. Bonds5

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

3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 3873599) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID3873599
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1cc(CCN2C(=O)CSC2c2cccs2)ccc1O
InChIInChI=1S/C16H17NO3S2/c1-20-13-9-11(4-5-12(13)18)6-7-17-15(19)10-22-16(17)14-3-2-8-21-14/h2-5,8-9,16,18H,6-7,10H2,1H3
InChIKeyPBHMCKNMOVLZJT-UHFFFAOYSA-N
XLogP3.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32920052
3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2860044
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
3-Benzyl-2-(4-hydroxy-3-methoxy-phenyl)-thiazolidin-4-one
CID 4272564
N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510666
N-ethyl-2-(2-hydroxy-5-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511619
Msp-3
CID 118472039
2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-N-thiophen-2-ylmethyl-acrylamide
CID 778443
(E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 1847638
2-(3,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 2860695
2-(4-Hydroxy-3-methoxyphenyl)-3-[2-(1-piperidinyl)ethyl]-1,3-thiazolidin-4-one hydrochloride
CID 2881512
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(5-iodothiophen-2-yl)butanamide
CID 92042852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 3873599) is 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is COc1cc(CCN2C(=O)CSC2c2cccs2)ccc1O.
What is the InChIKey of 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is PBHMCKNMOVLZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-20-13-9-11(4-5-12(13)18)6-7-17-15(19)10-22-16(17)14-3-2-8-21-14/h2-5,8-9,16,18H,6-7,10H2,1H3.
What are the key properties of 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3873599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).