2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride

C13H13ClN6S — CID 5468546

IUPAC2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C13H12N6S.ClH/c14-12(15)18-16-8-10-11(9-4-2-1-3-5-9)17-13-19(10)6-7-20-13;/h1-8H,(H4,14,15,18);1H/b16-8+;
InChIKeyAGTFLDZRCVPHOQ-OHGISNTKSA-N
MW320.81 g/mol
LogP2.09
Rot. Bonds3

About 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride

2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 5468546) has the molecular formula C13H13ClN6S and a molecular weight of 320.81 g/mol. Its IUPAC name is 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
PubChem CID5468546
Molecular FormulaC13H13ClN6S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C13H12N6S.ClH/c14-12(15)18-16-8-10-11(9-4-2-1-3-5-9)17-13-19(10)6-7-20-13;/h1-8H,(H4,14,15,18);1H/b16-8+;
InChIKeyAGTFLDZRCVPHOQ-OHGISNTKSA-N
XLogP2.09
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.09
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'}

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Related Compounds

2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
CID 135519426
2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57399028
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
CID 1473291
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54771164
2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11270237
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate
CID 1473288
2,4-dioxo-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 2320147

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride (CID 5468546) is 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is AGTFLDZRCVPHOQ-OHGISNTKSA-N. The full InChI is InChI=1S/C13H12N6S.ClH/c14-12(15)18-16-8-10-11(9-4-2-1-3-5-9)17-13-19(10)6-7-20-13;/h1-8H,(H4,14,15,18);1H/b16-8+;.
What are the key properties of 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 5468546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).