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

C13H14ClN7S — CID 57393796

IUPAC2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2ccc(N)cc2)nc2sccn12
InChIInChI=1S/C13H13N7S.ClH/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11;/h1-7H,14H2,(H4,15,16,19);1H/b17-7+;
InChIKeyQZZPGNZUCJBXLB-VYYXIRCESA-N
MW335.82 g/mol
LogP1.67
Rot. Bonds3

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

2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57393796) has the molecular formula C13H14ClN7S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57393796
Molecular FormulaC13H14ClN7S
Molecular Weight335.82 g/mol
Exact Mass335.07
IUPAC Name2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2ccc(N)cc2)nc2sccn12
InChIInChI=1S/C13H13N7S.ClH/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11;/h1-7H,14H2,(H4,15,16,19);1H/b17-7+;
InChIKeyQZZPGNZUCJBXLB-VYYXIRCESA-N
XLogP1.67
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57393796) is 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1c(-c2ccc(N)cc2)nc2sccn12.
What is the InChIKey of 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is QZZPGNZUCJBXLB-VYYXIRCESA-N. The full InChI is InChI=1S/C13H13N7S.ClH/c14-9-3-1-8(2-4-9)11-10(7-17-19-12(15)16)20-5-6-21-13(20)18-11;/h1-7H,14H2,(H4,15,16,19);1H/b17-7+;.
What are the key properties of 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 335.82 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(4-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57393796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).