2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide

C7H13N3OS — CID 167458233

IUPAC2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide
SMILES[H]/N=C1\SCCN1CC(=O)N(C)C
InChIInChI=1S/C7H13N3OS/c1-9(2)6(11)5-10-3-4-12-7(10)8/h8H,3-5H2,1-2H3/b8-7-
InChIKeyAAIXVERFSOMJAK-FPLPWBNLSA-N
MW187.27 g/mol
LogP0.06
Rot. Bonds2

About 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide

2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide (PubChem CID 167458233) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide
PubChem CID167458233
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide
SMILES[H]/N=C1\SCCN1CC(=O)N(C)C
InChIInChI=1S/C7H13N3OS/c1-9(2)6(11)5-10-3-4-12-7(10)8/h8H,3-5H2,1-2H3/b8-7-
InChIKeyAAIXVERFSOMJAK-FPLPWBNLSA-N
XLogP0.06
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide (CID 167458233) is 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide is [H]/N=C1\SCCN1CC(=O)N(C)C.
What is the InChIKey of 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide?
The InChIKey is AAIXVERFSOMJAK-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-9(2)6(11)5-10-3-4-12-7(10)8/h8H,3-5H2,1-2H3/b8-7-.
What are the key properties of 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide?
2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide has a molecular weight of 187.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazolidin-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 167458233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).