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

C12H13N3O3S — CID 3155756

IUPAC2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)C2SC(=O)NC2=O)c1
InChIInChI=1S/C12H13N3O3S/c1-7-3-2-4-8(5-7)15(6-9(13)16)11-10(17)14-12(18)19-11/h2-5,11H,6H2,1H3,(H2,13,16)(H,14,17,18)
InChIKeyISLUSJLNYRXMBD-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.60
Rot. Bonds4

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

2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide (PubChem CID 3155756) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide
PubChem CID3155756
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)C2SC(=O)NC2=O)c1
InChIInChI=1S/C12H13N3O3S/c1-7-3-2-4-8(5-7)15(6-9(13)16)11-10(17)14-12(18)19-11/h2-5,11H,6H2,1H3,(H2,13,16)(H,14,17,18)
InChIKeyISLUSJLNYRXMBD-UHFFFAOYSA-N
XLogP0.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.60
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 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide?
The IUPAC name of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide (CID 3155756) is 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide.
What is the SMILES notation for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide?
The canonical SMILES for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide is Cc1cccc(N(CC(N)=O)C2SC(=O)NC2=O)c1.
What is the InChIKey of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide?
The InChIKey is ISLUSJLNYRXMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-3-2-4-8(5-7)15(6-9(13)16)11-10(17)14-12(18)19-11/h2-5,11H,6H2,1H3,(H2,13,16)(H,14,17,18).
What are the key properties of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide?
2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide has a molecular weight of 279.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)-3-methylanilino)acetamide is sourced from PubChem (CID 3155756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).