Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate

C18H17NO4S — CID 90676014

IUPACmethyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)C(=O)OC
InChIInChI=1S/C18H17NO4S/c1-22-15-9-4-3-8-14(15)19-16(20)11-24-17(19)12-6-5-7-13(10-12)18(21)23-2/h3-10,17H,11H2,1-2H3
InChIKeyIMXBJYZMBQVUMX-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.20
Rot. Bonds5

About Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate

Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate (PubChem CID 90676014) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate.

Molecular Properties

Compound NameMethyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
PubChem CID90676014
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Namemethyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
SMILESCOC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)C(=O)OC
InChIInChI=1S/C18H17NO4S/c1-22-15-9-4-3-8-14(15)19-16(20)11-24-17(19)12-6-5-7-13(10-12)18(21)23-2/h3-10,17H,11H2,1-2H3
InChIKeyIMXBJYZMBQVUMX-UHFFFAOYSA-N
XLogP3.20
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity472

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-(3-{[[(2-methoxyphenyl)imino](methylamino)methyl]thio}-2,5-dioxo-1-pyrrolidinyl)benzoate
CID 2869021
2-[2-[4-(2-Methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 16323679
[2-(2-Methoxy-5-methylanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 24330843
[2-(2-Ethoxyanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 24330866
3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 90676020
N-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 90676023
N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 90676024
N-[2-(4-hydroxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 90676025
N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 132559046
3-[3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-phenylbutyl)benzamide
CID 168272196
3-ethynyl-5-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-phenylbutyl)benzamide
CID 168279420
3-[3-(4-fluoro-2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-phenylbutyl)benzamide
CID 168282169

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The IUPAC name of Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate (CID 90676014) is methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate.
What is the SMILES notation for Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The canonical SMILES for Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate is COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)C(=O)OC.
What is the InChIKey of Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate?
The InChIKey is IMXBJYZMBQVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-22-15-9-4-3-8-14(15)19-16(20)11-24-17(19)12-6-5-7-13(10-12)18(21)23-2/h3-10,17H,11H2,1-2H3.
What are the key properties of Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate?
Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate has a molecular weight of 343.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate is sourced from PubChem (CID 90676014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).