5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

C20H16N2O2S — CID 3446219

IUPAC5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1NC1SC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C20H16N2O2S/c1-13-7-2-5-11-16(13)21-18-19(23)22(20(24)25-18)17-12-6-9-14-8-3-4-10-15(14)17/h2-12,18,21H,1H3
InChIKeyLOGREFSGQOQUCA-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.79
Rot. Bonds3

About 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (PubChem CID 3446219) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
PubChem CID3446219
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1NC1SC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C20H16N2O2S/c1-13-7-2-5-11-16(13)21-18-19(23)22(20(24)25-18)17-12-6-9-14-8-3-4-10-15(14)17/h2-12,18,21H,1H3
InChIKeyLOGREFSGQOQUCA-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (CID 3446219) is 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is Cc1ccccc1NC1SC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is LOGREFSGQOQUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-7-2-5-11-16(13)21-18-19(23)22(20(24)25-18)17-12-6-9-14-8-3-4-10-15(14)17/h2-12,18,21H,1H3.
What are the key properties of 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 348.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3446219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).