2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride

C13H11Cl3N6S — CID 54771819

IUPAC2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2ccccn12
InChIInChI=1S/C13H10Cl2N6S.ClH/c14-9-5-7(12(15)22-9)11-8(6-18-20-13(16)17)21-4-2-1-3-10(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6+;
InChIKeyIPZOGYPHDQOBLX-TWFGXWKLSA-N
MW389.70 g/mol
LogP3.40
Rot. Bonds3

About 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride

2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 54771819) has the molecular formula C13H11Cl3N6S and a molecular weight of 389.70 g/mol. Its IUPAC name is 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride
PubChem CID54771819
Molecular FormulaC13H11Cl3N6S
Molecular Weight389.70 g/mol
Exact Mass387.98
IUPAC Name2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2ccccn12
InChIInChI=1S/C13H10Cl2N6S.ClH/c14-9-5-7(12(15)22-9)11-8(6-18-20-13(16)17)21-4-2-1-3-10(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6+;
InChIKeyIPZOGYPHDQOBLX-TWFGXWKLSA-N
XLogP3.40
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.40
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)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride (CID 54771819) is 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2ccccn12.
What is the InChIKey of 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is IPZOGYPHDQOBLX-TWFGXWKLSA-N. The full InChI is InChI=1S/C13H10Cl2N6S.ClH/c14-9-5-7(12(15)22-9)11-8(6-18-20-13(16)17)21-4-2-1-3-10(21)19-11;/h1-6H,(H4,16,17,20);1H/b18-6+;.
What are the key properties of 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride?
2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 389.70 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54771819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).