1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

C15H18N6S — CID 119116994

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(/NCc1cn2ccccc2n1)NCc1nc(C)cs1
InChIInChI=1S/C15H18N6S/c1-11-10-22-14(19-11)8-18-15(16-2)17-7-12-9-21-6-4-3-5-13(21)20-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyABIQYCYEFMSVAY-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.96
Rot. Bonds4

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 119116994) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID119116994
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(/NCc1cn2ccccc2n1)NCc1nc(C)cs1
InChIInChI=1S/C15H18N6S/c1-11-10-22-14(19-11)8-18-15(16-2)17-7-12-9-21-6-4-3-5-13(21)20-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyABIQYCYEFMSVAY-UHFFFAOYSA-N
XLogP1.96
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.96
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'}

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116993
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63000781
1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119116119
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 119151641
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540
2-[[N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]-N-phenylacetamide
CID 119116936
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111535580
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 119131733
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 119116994) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is C/N=C(/NCc1cn2ccccc2n1)NCc1nc(C)cs1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is ABIQYCYEFMSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-11-10-22-14(19-11)8-18-15(16-2)17-7-12-9-21-6-4-3-5-13(21)20-12/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 314.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 119116994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).