2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C13H11ClF2N6S — CID 57395513

IUPAC2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2c(F)cccc2F)nc2sccn12
InChIInChI=1S/C13H10F2N6S.ClH/c14-7-2-1-3-8(15)10(7)11-9(6-18-20-12(16)17)21-4-5-22-13(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6-;
InChIKeyHFKUTKFWHZHPMM-FNUWUMQRSA-N
MW356.79 g/mol
LogP2.37
Rot. Bonds3

About 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57395513) has the molecular formula C13H11ClF2N6S and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57395513
Molecular FormulaC13H11ClF2N6S
Molecular Weight356.79 g/mol
Exact Mass356.04
IUPAC Name2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2c(F)cccc2F)nc2sccn12
InChIInChI=1S/C13H10F2N6S.ClH/c14-7-2-1-3-8(15)10(7)11-9(6-18-20-12(16)17)21-4-5-22-13(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6-;
InChIKeyHFKUTKFWHZHPMM-FNUWUMQRSA-N
XLogP2.37
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride 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-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57395513) is 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C\c1c(-c2c(F)cccc2F)nc2sccn12.
What is the InChIKey of 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is HFKUTKFWHZHPMM-FNUWUMQRSA-N. The full InChI is InChI=1S/C13H10F2N6S.ClH/c14-7-2-1-3-8(15)10(7)11-9(6-18-20-12(16)17)21-4-5-22-13(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6-;.
What are the key properties of 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 356.79 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57395513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).