2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide

C13H15N3O3S — CID 655035

IUPAC2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-8-3-5-9(6-4-8)16(7-10(14)17)12-11(18)15(2)13(19)20-12/h3-6,12H,7H2,1-2H3,(H2,14,17)
InChIKeyYJCCENGRSFDZIM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide

2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide (PubChem CID 655035) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
PubChem CID655035
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
SMILESCc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-8-3-5-9(6-4-8)16(7-10(14)17)12-11(18)15(2)13(19)20-12/h3-6,12H,7H2,1-2H3,(H2,14,17)
InChIKeyYJCCENGRSFDZIM-UHFFFAOYSA-N
XLogP0.94
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The IUPAC name of 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide (CID 655035) is 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide.
What is the SMILES notation for 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The canonical SMILES for 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide is Cc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1.
What is the InChIKey of 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The InChIKey is YJCCENGRSFDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-3-5-9(6-4-8)16(7-10(14)17)12-11(18)15(2)13(19)20-12/h3-6,12H,7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide is sourced from PubChem (CID 655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).