3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

C18H19NO4S — CID 70119661

IUPAC3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(C)(C(=O)N1CSCC1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H19NO4S/c1-18(23-2,17(22)19-11-24-10-15(19)16(20)21)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11H2,1-2H3,(H,20,21)
InChIKeyFVLVSICYYQLSPM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.69
Rot. Bonds4

About 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70119661) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID70119661
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(C)(C(=O)N1CSCC1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H19NO4S/c1-18(23-2,17(22)19-11-24-10-15(19)16(20)21)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11H2,1-2H3,(H,20,21)
InChIKeyFVLVSICYYQLSPM-UHFFFAOYSA-N
XLogP2.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 70119661) is 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is COC(C)(C(=O)N1CSCC1C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FVLVSICYYQLSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-18(23-2,17(22)19-11-24-10-15(19)16(20)21)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-naphthalen-1-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70119661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).