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

C8H11ClN6S — CID 45265236

IUPAC2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
SMILESCc1nc2sccn2c1/C=N/N=C(N)N.Cl
InChIInChI=1S/C8H10N6S.ClH/c1-5-6(4-11-13-7(9)10)14-2-3-15-8(14)12-5;/h2-4H,1H3,(H4,9,10,13);1H/b11-4+;
InChIKeyNHLSANFXNRCFAB-SODSUQDMSA-N
MW258.74 g/mol
LogP0.73
Rot. Bonds2

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

2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 45265236) has the molecular formula C8H11ClN6S and a molecular weight of 258.74 g/mol. Its IUPAC name is 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
PubChem CID45265236
Molecular FormulaC8H11ClN6S
Molecular Weight258.74 g/mol
Exact Mass258.05
IUPAC Name2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
SMILESCc1nc2sccn2c1/C=N/N=C(N)N.Cl
InChIInChI=1S/C8H10N6S.ClH/c1-5-6(4-11-13-7(9)10)14-2-3-15-8(14)12-5;/h2-4H,1H3,(H4,9,10,13);1H/b11-4+;
InChIKeyNHLSANFXNRCFAB-SODSUQDMSA-N
XLogP0.73
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride (CID 45265236) is 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride is Cc1nc2sccn2c1/C=N/N=C(N)N.Cl.
What is the InChIKey of 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is NHLSANFXNRCFAB-SODSUQDMSA-N. The full InChI is InChI=1S/C8H10N6S.ClH/c1-5-6(4-11-13-7(9)10)14-2-3-15-8(14)12-5;/h2-4H,1H3,(H4,9,10,13);1H/b11-4+;.
What are the key properties of 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 258.74 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 45265236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).