1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide

C16H20ClIN6S — CID 119163152

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Cl)ccc2n1)NCc1nc(C)c(C)s1.I
InChIInChI=1S/C16H19ClN6S.HI/c1-10-11(2)24-15(21-10)7-20-16(18-3)19-6-13-9-23-8-12(17)4-5-14(23)22-13;/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20);1H
InChIKeyZHLSMROWDKZPQB-UHFFFAOYSA-N
MW490.80 g/mol
LogP3.54
Rot. Bonds4

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 119163152) has the molecular formula C16H20ClIN6S and a molecular weight of 490.80 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
PubChem CID119163152
Molecular FormulaC16H20ClIN6S
Molecular Weight490.80 g/mol
Exact Mass490.02
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Cl)ccc2n1)NCc1nc(C)c(C)s1.I
InChIInChI=1S/C16H19ClN6S.HI/c1-10-11(2)24-15(21-10)7-20-16(18-3)19-6-13-9-23-8-12(17)4-5-14(23)22-13;/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20);1H
InChIKeyZHLSMROWDKZPQB-UHFFFAOYSA-N
XLogP3.54
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.80
LogP ≤ 53.54
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide
CID 119151426
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111775689
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111773793
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111775690
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111772900
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
CID 119163225
N-[2-[[N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111988274
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111774506
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116993
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776933

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide (CID 119163152) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide is C/N=C(/NCc1cn2cc(Cl)ccc2n1)NCc1nc(C)c(C)s1.I.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is ZHLSMROWDKZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6S.HI/c1-10-11(2)24-15(21-10)7-20-16(18-3)19-6-13-9-23-8-12(17)4-5-14(23)22-13;/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide?
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 490.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).