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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione
CID 16643928
(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 7195463
2-[(5S)-5-(3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2049934
2-[(5S)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2049929
2-[(5R)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2049927
5-(3-methylanilino)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3730963
(5S)-5-(4-bromoanilino)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 41024005
methyl 3-[[5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 3407956
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
ethyl 2-[(5S)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 7162198
(5R)-3-(2-bromoethyl)-5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione
CID 42416035
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998

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).