5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

C17H16N2O2S — CID 654763

IUPAC5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C17H16N2O2S/c1-12-7-6-10-14(11-12)19-15(20)16(22-17(19)21)18(2)13-8-4-3-5-9-13/h3-11,16H,1-2H3
InChIKeyVZMAOWOENWXHHE-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.66
Rot. Bonds3

About 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 654763) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID654763
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C17H16N2O2S/c1-12-7-6-10-14(11-12)19-15(20)16(22-17(19)21)18(2)13-8-4-3-5-9-13/h3-11,16H,1-2H3
InChIKeyVZMAOWOENWXHHE-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
Cambridge id 5254082
CID 2837542
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2-(Benzylthio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 882075
5-(Naphthalen-1-ylamino)-thiazolidine-2,4-dione
CID 3155755

Frequently Asked Questions

What is the IUPAC name of 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 654763) is 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1.
What is the InChIKey of 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is VZMAOWOENWXHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-7-6-10-14(11-12)19-15(20)16(22-17(19)21)18(2)13-8-4-3-5-9-13/h3-11,16H,1-2H3.
What are the key properties of 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 654763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).