2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

C19H18N2O4S — CID 3243800

IUPAC2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C2NC(C(=O)O)CS2)ccc1OCc1ccccc1C#N
InChIInChI=1S/C19H18N2O4S/c1-24-17-8-12(18-21-15(11-26-18)19(22)23)6-7-16(17)25-10-14-5-3-2-4-13(14)9-20/h2-8,15,18,21H,10-11H2,1H3,(H,22,23)
InChIKeyDBBRVPMBYWUFIO-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3243800) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID3243800
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc(C2NC(C(=O)O)CS2)ccc1OCc1ccccc1C#N
InChIInChI=1S/C19H18N2O4S/c1-24-17-8-12(18-21-15(11-26-18)19(22)23)6-7-16(17)25-10-14-5-3-2-4-13(14)9-20/h2-8,15,18,21H,10-11H2,1H3,(H,22,23)
InChIKeyDBBRVPMBYWUFIO-UHFFFAOYSA-N
XLogP2.93
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid (CID 3243800) is 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is COc1cc(C2NC(C(=O)O)CS2)ccc1OCc1ccccc1C#N.
What is the InChIKey of 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DBBRVPMBYWUFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-17-8-12(18-21-15(11-26-18)19(22)23)6-7-16(17)25-10-14-5-3-2-4-13(14)9-20/h2-8,15,18,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3243800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).