5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

C9H9F2N3OS — CID 59429858

IUPAC5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1cc2[nH]c(=S)[nH]c2nc1OCC(F)F
InChIInChI=1S/C9H9F2N3OS/c1-4-2-5-7(14-9(16)12-5)13-8(4)15-3-6(10)11/h2,6H,3H2,1H3,(H2,12,13,14,16)
InChIKeyHEZGSNHTBBQIAA-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.57
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (PubChem CID 59429858) has the molecular formula C9H9F2N3OS and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
PubChem CID59429858
Molecular FormulaC9H9F2N3OS
Molecular Weight245.25 g/mol
Exact Mass245.04
IUPAC Name5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1cc2[nH]c(=S)[nH]c2nc1OCC(F)F
InChIInChI=1S/C9H9F2N3OS/c1-4-2-5-7(14-9(16)12-5)13-8(4)15-3-6(10)11/h2,6H,3H2,1H3,(H2,12,13,14,16)
InChIKeyHEZGSNHTBBQIAA-UHFFFAOYSA-N
XLogP2.57
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (CID 59429858) is 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is Cc1cc2[nH]c(=S)[nH]c2nc1OCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The InChIKey is HEZGSNHTBBQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3OS/c1-4-2-5-7(14-9(16)12-5)13-8(4)15-3-6(10)11/h2,6H,3H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione has a molecular weight of 245.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-6-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 59429858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).