2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine

C10H11N3S — CID 665481

IUPAC2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESC=C(C)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3S/c1-7(2)6-14-10-12-8-4-3-5-11-9(8)13-10/h3-5H,1,6H2,2H3,(H,11,12,13)
InChIKeyYWPUXENWIUUWCM-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine

2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 665481) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
PubChem CID665481
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESC=C(C)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C10H11N3S/c1-7(2)6-14-10-12-8-4-3-5-11-9(8)13-10/h3-5H,1,6H2,2H3,(H,11,12,13)
InChIKeyYWPUXENWIUUWCM-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine (CID 665481) is 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine is C=C(C)CSc1nc2ncccc2[nH]1.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is YWPUXENWIUUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(2)6-14-10-12-8-4-3-5-11-9(8)13-10/h3-5H,1,6H2,2H3,(H,11,12,13).
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 205.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 665481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).