2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C14H15ClN6S — CID 45262277

IUPAC2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(-c2nc3sccn3c2/C=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C14H14N6S.ClH/c1-9-2-4-10(5-3-9)12-11(8-17-19-13(15)16)20-6-7-21-14(20)18-12;/h2-8H,1H3,(H4,15,16,19);1H/b17-8+;
InChIKeyHMYPCVZRJUPALD-XIDBHWPPSA-N
MW334.84 g/mol
LogP2.40
Rot. Bonds3

About 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 45262277) has the molecular formula C14H15ClN6S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID45262277
Molecular FormulaC14H15ClN6S
Molecular Weight334.84 g/mol
Exact Mass334.08
IUPAC Name2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1ccc(-c2nc3sccn3c2/C=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C14H14N6S.ClH/c1-9-2-4-10(5-3-9)12-11(8-17-19-13(15)16)20-6-7-21-14(20)18-12;/h2-8H,1H3,(H4,15,16,19);1H/b17-8+;
InChIKeyHMYPCVZRJUPALD-XIDBHWPPSA-N
XLogP2.40
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.40
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-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 45262277) is 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cc1ccc(-c2nc3sccn3c2/C=N/N=C(N)N)cc1.Cl.
What is the InChIKey of 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is HMYPCVZRJUPALD-XIDBHWPPSA-N. The full InChI is InChI=1S/C14H14N6S.ClH/c1-9-2-4-10(5-3-9)12-11(8-17-19-13(15)16)20-6-7-21-14(20)18-12;/h2-8H,1H3,(H4,15,16,19);1H/b17-8+;.
What are the key properties of 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 334.84 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 45262277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).