2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C7H11N3O2S — CID 5226175

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1\SC(CC(N)=O)C(=O)N1C
InChIInChI=1S/C7H11N3O2S/c1-9-7-10(2)6(12)4(13-7)3-5(8)11/h4H,3H2,1-2H3,(H2,8,11)/b9-7-
InChIKeyDLOKQSSIIBJMQB-CLFYSBASSA-N
MW201.25 g/mol
LogP-0.58
Rot. Bonds2

About 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 5226175) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID5226175
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1\SC(CC(N)=O)C(=O)N1C
InChIInChI=1S/C7H11N3O2S/c1-9-7-10(2)6(12)4(13-7)3-5(8)11/h4H,3H2,1-2H3,(H2,8,11)/b9-7-
InChIKeyDLOKQSSIIBJMQB-CLFYSBASSA-N
XLogP-0.58
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 5226175) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1\SC(CC(N)=O)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is DLOKQSSIIBJMQB-CLFYSBASSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-9-7-10(2)6(12)4(13-7)3-5(8)11/h4H,3H2,1-2H3,(H2,8,11)/b9-7-.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 201.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 5226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).