2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride

C13H16Cl4N6O2S — CID 135519426

IUPAC2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=N/N=C/c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S.4ClH/c14-12(15)18-16-6-9-11(17-13-19(9)3-4-22-13)8-5-7(20)1-2-10(8)21;;;;/h1-6,20-21H,(H4,14,15,18);4*1H/b16-6+;;;;
InChIKeyFPNZEGXEEPNABG-UDJJRGRASA-N
MW462.19 g/mol
LogP2.77
Rot. Bonds3

About 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride

2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride (PubChem CID 135519426) has the molecular formula C13H16Cl4N6O2S and a molecular weight of 462.19 g/mol. Its IUPAC name is 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride.

Molecular Properties

Compound Name2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
PubChem CID135519426
Molecular FormulaC13H16Cl4N6O2S
Molecular Weight462.19 g/mol
Exact Mass459.98
IUPAC Name2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NC(N)=N/N=C/c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S.4ClH/c14-12(15)18-16-6-9-11(17-13-19(9)3-4-22-13)8-5-7(20)1-2-10(8)21;;;;/h1-6,20-21H,(H4,14,15,18);4*1H/b16-6+;;;;
InChIKeyFPNZEGXEEPNABG-UDJJRGRASA-N
XLogP2.77
TPSA134.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.19
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride?
The IUPAC name of 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride (CID 135519426) is 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride.
What is the SMILES notation for 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride?
The canonical SMILES for 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride is Cl.Cl.Cl.Cl.NC(N)=N/N=C/c1c(-c2cc(O)ccc2O)nc2sccn12.
What is the InChIKey of 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride?
The InChIKey is FPNZEGXEEPNABG-UDJJRGRASA-N. The full InChI is InChI=1S/C13H12N6O2S.4ClH/c14-12(15)18-16-6-9-11(17-13-19(9)3-4-22-13)8-5-7(20)1-2-10(8)21;;;;/h1-6,20-21H,(H4,14,15,18);4*1H/b16-6+;;;;.
What are the key properties of 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride?
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride has a molecular weight of 462.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride is sourced from PubChem (CID 135519426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).