5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione

C19H21N3O2S — CID 16643925

IUPAC5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(NC2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-6-8-15(9-7-13)21-17-18(23)22(19(24)25-17)11-10-20-16-5-3-4-14(2)12-16/h3-9,12,17,20-21H,10-11H2,1-2H3
InChIKeySKMYZJJJAVAUCV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.85
Rot. Bonds6

About 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione

5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 16643925) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID16643925
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(NC2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-13-6-8-15(9-7-13)21-17-18(23)22(19(24)25-17)11-10-20-16-5-3-4-14(2)12-16/h3-9,12,17,20-21H,10-11H2,1-2H3
InChIKeySKMYZJJJAVAUCV-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
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-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione (CID 16643925) is 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(NC2SC(=O)N(CCNc3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SKMYZJJJAVAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-6-8-15(9-7-13)21-17-18(23)22(19(24)25-17)11-10-20-16-5-3-4-14(2)12-16/h3-9,12,17,20-21H,10-11H2,1-2H3.
What are the key properties of 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione?
5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 355.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16643925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).