6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid

C13H11N3O6S — CID 71374950

IUPAC6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESO=C(O)C(=O)O.O=[N+]([O-])c1ccc(C2CN3C=CSC3=N2)cc1
InChIInChI=1S/C11H9N3O2S.C2H2O4/c15-14(16)9-3-1-8(2-4-9)10-7-13-5-6-17-11(13)12-10;3-1(4)2(5)6/h1-6,10H,7H2;(H,3,4)(H,5,6)
InChIKeyJGKFEPNUKFCUSP-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.68
Rot. Bonds2

About 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid

6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid (PubChem CID 71374950) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid.

Molecular Properties

Compound Name6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid
PubChem CID71374950
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC Name6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid
SMILESO=C(O)C(=O)O.O=[N+]([O-])c1ccc(C2CN3C=CSC3=N2)cc1
InChIInChI=1S/C11H9N3O2S.C2H2O4/c15-14(16)9-3-1-8(2-4-9)10-7-13-5-6-17-11(13)12-10;3-1(4)2(5)6/h1-6,10H,7H2;(H,3,4)(H,5,6)
InChIKeyJGKFEPNUKFCUSP-UHFFFAOYSA-N
XLogP1.68
TPSA133.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid 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 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The IUPAC name of 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid (CID 71374950) is 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid.
What is the SMILES notation for 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The canonical SMILES for 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid is O=C(O)C(=O)O.O=[N+]([O-])c1ccc(C2CN3C=CSC3=N2)cc1.
What is the InChIKey of 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
The InChIKey is JGKFEPNUKFCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S.C2H2O4/c15-14(16)9-3-1-8(2-4-9)10-7-13-5-6-17-11(13)12-10;3-1(4)2(5)6/h1-6,10H,7H2;(H,3,4)(H,5,6).
What are the key properties of 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid?
6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid has a molecular weight of 337.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;oxalic acid is sourced from PubChem (CID 71374950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).