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

C13H12N6O2S — CID 135519427

IUPAC2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S/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)/b16-6+
InChIKeyHLZSPIBWGCWLNZ-OMCISZLKSA-N
MW316.35 g/mol
LogP1.08
Rot. Bonds3

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

2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (PubChem CID 135519427) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
PubChem CID135519427
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC Name2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(-c2cc(O)ccc2O)nc2sccn12
InChIInChI=1S/C13H12N6O2S/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)/b16-6+
InChIKeyHLZSPIBWGCWLNZ-OMCISZLKSA-N
XLogP1.08
TPSA134.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.08
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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Related Compounds

3-[5-[2-[2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631875
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 700755
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol
CID 877570
2-[(E)-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11485823
N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607201
3-[5-[2-[2-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631831
3-[5-[2-[2-(4,4-Dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631879
3-[5-[2-[2-(5-Benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631891
3-[5-[2-[2-(1,1-Dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632019
3-[5-[2-[2-(6-Methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632025
5-[5-[2-[2-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
CID 146538888
2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
CID 10775929

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?
The IUPAC name of 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (CID 135519427) is 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is 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?
The InChIKey is HLZSPIBWGCWLNZ-OMCISZLKSA-N. The full InChI is InChI=1S/C13H12N6O2S/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)/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?
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine has a molecular weight of 316.35 g/mol, XLogP of 1.08, 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 is sourced from PubChem (CID 135519427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).