ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate

C13H15N5OS — CID 102480761

IUPACethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate
SMILESCCO/C=N/c1nc2c(nc(C)n2C)c(SC)c1C#N
InChIInChI=1S/C13H15N5OS/c1-5-19-7-15-12-9(6-14)11(20-4)10-13(17-12)18(3)8(2)16-10/h7H,5H2,1-4H3/b15-7+
InChIKeyMECGTBQLLNDYMW-VIZOYTHASA-N
MW289.36 g/mol
LogP2.57
Rot. Bonds4

About ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate

ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate (PubChem CID 102480761) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate.

Molecular Properties

Compound Nameethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate
PubChem CID102480761
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Nameethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate
SMILESCCO/C=N/c1nc2c(nc(C)n2C)c(SC)c1C#N
InChIInChI=1S/C13H15N5OS/c1-5-19-7-15-12-9(6-14)11(20-4)10-13(17-12)18(3)8(2)16-10/h7H,5H2,1-4H3/b15-7+
InChIKeyMECGTBQLLNDYMW-VIZOYTHASA-N
XLogP2.57
TPSA76.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

ethyl N-(2-butylsulfanyl-5-cyano-6-methylsulfanylpyrimidin-4-yl)methanimidate
CID 141278932
ethyl (1E)-N-(5-cyano-3-methyl-1-phenylpyrazolo[3,4-b]pyrazin-6-yl)methanimidate
CID 10494848
ethyl N-(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methanimidate
CID 85450951
2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
CID 10015048
ethyl N-(4-cyano-6-ethoxy-2-methylpyrimidin-5-yl)methanimidate
CID 11579550
ethyl N-[4-cyano-1-(4-ethyl-2,3,5,6-tetrafluorophenyl)pyrazol-5-yl]methanimidate
CID 54404012
ethyl (1E)-N-(5-bromo-3,4-dicyano-1H-pyrrol-2-yl)methanimidate
CID 11119036
ethyl N-(5-formyl-1-methyltriazol-4-yl)methanimidate
CID 165343104
2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
CID 23245545
ethyl (E)-3-(1-cyano-6-methyl-2-methylsulfanylindolizin-3-yl)prop-2-enoate
CID 134872478
ethyl N-[4-cyano-3-(2-methylpentan-2-yl)-1,2-thiazol-5-yl]methanimidate
CID 54317682
ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate?
The IUPAC name of ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate (CID 102480761) is ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate.
What is the SMILES notation for ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate?
The canonical SMILES for ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate is CCO/C=N/c1nc2c(nc(C)n2C)c(SC)c1C#N.
What is the InChIKey of ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate?
The InChIKey is MECGTBQLLNDYMW-VIZOYTHASA-N. The full InChI is InChI=1S/C13H15N5OS/c1-5-19-7-15-12-9(6-14)11(20-4)10-13(17-12)18(3)8(2)16-10/h7H,5H2,1-4H3/b15-7+.
What are the key properties of ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate?
ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate has a molecular weight of 289.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate is sourced from PubChem (CID 102480761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).