3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine

C10H13N3S — CID 20727882

IUPAC3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
SMILESCSCCCn1cnc2cccnc21
InChIInChI=1S/C10H13N3S/c1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyYGXPEEGUGOARFV-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.18
Rot. Bonds4

About 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine

3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine (PubChem CID 20727882) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
PubChem CID20727882
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
SMILESCSCCCn1cnc2cccnc21
InChIInChI=1S/C10H13N3S/c1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyYGXPEEGUGOARFV-UHFFFAOYSA-N
XLogP2.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine (CID 20727882) is 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine is CSCCCn1cnc2cccnc21.
What is the InChIKey of 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is YGXPEEGUGOARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-14-7-3-6-13-8-12-9-4-2-5-11-10(9)13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine?
3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 207.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 20727882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).