methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate

C20H22N2O6S — CID 155761522

IUPACmethyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2C2NC(C(=O)OC)CS2)nc1
InChIInChI=1S/C20H22N2O6S/c1-26-19(24)13-4-5-14(21-8-13)10-28-17-6-3-12(9-23)7-15(17)18-22-16(11-29-18)20(25)27-2/h3-8,16,18,22-23H,9-11H2,1-2H3
InChIKeyQDVLCRXCVLARCQ-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.82
Rot. Bonds7

About methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate

methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 155761522) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate
PubChem CID155761522
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Namemethyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2C2NC(C(=O)OC)CS2)nc1
InChIInChI=1S/C20H22N2O6S/c1-26-19(24)13-4-5-14(21-8-13)10-28-17-6-3-12(9-23)7-15(17)18-22-16(11-29-18)20(25)27-2/h3-8,16,18,22-23H,9-11H2,1-2H3
InChIKeyQDVLCRXCVLARCQ-UHFFFAOYSA-N
XLogP1.82
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4037304
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 4-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzoate
CID 7706301

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate (CID 155761522) is methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate is COC(=O)c1ccc(COc2ccc(CO)cc2C2NC(C(=O)OC)CS2)nc1.
What is the InChIKey of methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is QDVLCRXCVLARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-26-19(24)13-4-5-14(21-8-13)10-28-17-6-3-12(9-23)7-15(17)18-22-16(11-29-18)20(25)27-2/h3-8,16,18,22-23H,9-11H2,1-2H3.
What are the key properties of methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate?
methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 155761522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).