1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one

C12H13N5O2S — CID 24850773

IUPAC1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one
SMILESCC(=O)N1CCN(/N=C/c2c(C)nc3sccn23)C1=O
InChIInChI=1S/C12H13N5O2S/c1-8-10(16-5-6-20-11(16)14-8)7-13-17-4-3-15(9(2)18)12(17)19/h5-7H,3-4H2,1-2H3/b13-7+
InChIKeySAOIUYFLPWFRRT-NTUHNPAUSA-N
MW291.34 g/mol
LogP1.32
Rot. Bonds2

About 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one

1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one (PubChem CID 24850773) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one
PubChem CID24850773
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one
SMILESCC(=O)N1CCN(/N=C/c2c(C)nc3sccn23)C1=O
InChIInChI=1S/C12H13N5O2S/c1-8-10(16-5-6-20-11(16)14-8)7-13-17-4-3-15(9(2)18)12(17)19/h5-7H,3-4H2,1-2H3/b13-7+
InChIKeySAOIUYFLPWFRRT-NTUHNPAUSA-N
XLogP1.32
TPSA70.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one 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 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one?
The IUPAC name of 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one (CID 24850773) is 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one.
What is the SMILES notation for 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one?
The canonical SMILES for 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one is CC(=O)N1CCN(/N=C/c2c(C)nc3sccn23)C1=O.
What is the InChIKey of 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one?
The InChIKey is SAOIUYFLPWFRRT-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-8-10(16-5-6-20-11(16)14-8)7-13-17-4-3-15(9(2)18)12(17)19/h5-7H,3-4H2,1-2H3/b13-7+.
What are the key properties of 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one?
1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one has a molecular weight of 291.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]imidazolidin-2-one is sourced from PubChem (CID 24850773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).