2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine

C9H11ClN6S — CID 10778493

IUPAC2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1sc2nc(Cl)c(/C=N/N=C(N)N)n2c1C
InChIInChI=1S/C9H11ClN6S/c1-4-5(2)17-9-14-7(10)6(16(4)9)3-13-15-8(11)12/h3H,1-2H3,(H4,11,12,15)/b13-3+
InChIKeyYWQPUMJFHCNQQK-QLKAYGNNSA-N
MW270.75 g/mol
LogP1.27
Rot. Bonds2

About 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine

2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (PubChem CID 10778493) has the molecular formula C9H11ClN6S and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
PubChem CID10778493
Molecular FormulaC9H11ClN6S
Molecular Weight270.75 g/mol
Exact Mass270.05
IUPAC Name2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1sc2nc(Cl)c(/C=N/N=C(N)N)n2c1C
InChIInChI=1S/C9H11ClN6S/c1-4-5(2)17-9-14-7(10)6(16(4)9)3-13-15-8(11)12/h3H,1-2H3,(H4,11,12,15)/b13-3+
InChIKeyYWQPUMJFHCNQQK-QLKAYGNNSA-N
XLogP1.27
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.27
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'}

Analyze 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (CID 10778493) is 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is Cc1sc2nc(Cl)c(/C=N/N=C(N)N)n2c1C.
What is the InChIKey of 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The InChIKey is YWQPUMJFHCNQQK-QLKAYGNNSA-N. The full InChI is InChI=1S/C9H11ClN6S/c1-4-5(2)17-9-14-7(10)6(16(4)9)3-13-15-8(11)12/h3H,1-2H3,(H4,11,12,15)/b13-3+.
What are the key properties of 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine has a molecular weight of 270.75 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 10778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).