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

C21H18N2O2S — CID 3446223

IUPAC5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(NC2SC(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C21H18N2O2S/c1-13-10-11-14(2)17(12-13)22-19-20(24)23(21(25)26-19)18-9-5-7-15-6-3-4-8-16(15)18/h3-12,19,22H,1-2H3
InChIKeyIROFMENKCNYLKO-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.09
Rot. Bonds3

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

5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (PubChem CID 3446223) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
PubChem CID3446223
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(NC2SC(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C21H18N2O2S/c1-13-10-11-14(2)17(12-13)22-19-20(24)23(21(25)26-19)18-9-5-7-15-6-3-4-8-16(15)18/h3-12,19,22H,1-2H3
InChIKeyIROFMENKCNYLKO-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446219
5-(3,5-dichloroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446274
5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446267
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 3446060
3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
CID 3120494
(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
3-(2-methylphenyl)-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidine-2,4-dione
CID 4735951
(5S)-3-(4-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
5-morpholin-4-yl-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446286
N-[4-[[(5R)-3-(2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]phenyl]acetamide
CID 2000798

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (CID 3446223) is 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is Cc1ccc(C)c(NC2SC(=O)N(c3cccc4ccccc34)C2=O)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is IROFMENKCNYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-13-10-11-14(2)17(12-13)22-19-20(24)23(21(25)26-19)18-9-5-7-15-6-3-4-8-16(15)18/h3-12,19,22H,1-2H3.
What are the key properties of 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 362.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3446223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).