2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide

C8H13N3O2S — CID 3049956

IUPAC2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESCC(=O)NCC(=O)/N=C1\SCCN1C
InChIInChI=1S/C8H13N3O2S/c1-6(12)9-5-7(13)10-8-11(2)3-4-14-8/h3-5H2,1-2H3,(H,9,12)/b10-8-
InChIKeyHPRGZVSNEUPTKZ-NTMALXAHSA-N
MW215.28 g/mol
LogP-0.32
Rot. Bonds2

About 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide

2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 3049956) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID3049956
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESCC(=O)NCC(=O)/N=C1\SCCN1C
InChIInChI=1S/C8H13N3O2S/c1-6(12)9-5-7(13)10-8-11(2)3-4-14-8/h3-5H2,1-2H3,(H,9,12)/b10-8-
InChIKeyHPRGZVSNEUPTKZ-NTMALXAHSA-N
XLogP-0.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide (CID 3049956) is 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide is CC(=O)NCC(=O)/N=C1\SCCN1C.
What is the InChIKey of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is HPRGZVSNEUPTKZ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(12)9-5-7(13)10-8-11(2)3-4-14-8/h3-5H2,1-2H3,(H,9,12)/b10-8-.
What are the key properties of 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 215.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 3049956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).