5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

C17H16N2O3S — CID 3446286

IUPAC5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(N2CCOCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C17H16N2O3S/c20-15-16(18-8-10-22-11-9-18)23-17(21)19(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,16H,8-11H2
InChIKeyUZZXSEKTFYRPJG-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.70
Rot. Bonds2

About 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (PubChem CID 3446286) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
PubChem CID3446286
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(N2CCOCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C17H16N2O3S/c20-15-16(18-8-10-22-11-9-18)23-17(21)19(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,16H,8-11H2
InChIKeyUZZXSEKTFYRPJG-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (CID 3446286) is 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is O=C1SC(N2CCOCC2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is UZZXSEKTFYRPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-15-16(18-8-10-22-11-9-18)23-17(21)19(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,16H,8-11H2.
What are the key properties of 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 328.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3446286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).