1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione

C13H10FN3S — CID 79296192

IUPAC1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F
InChIInChI=1S/C13H10FN3S/c1-8-6-9(2-3-10(8)14)17-12-4-5-15-7-11(12)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyJDPHBVOXQFGPBN-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.53
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296192) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296192
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F
InChIInChI=1S/C13H10FN3S/c1-8-6-9(2-3-10(8)14)17-12-4-5-15-7-11(12)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyJDPHBVOXQFGPBN-UHFFFAOYSA-N
XLogP3.53
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296192) is 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is Cc1cc(-n2c(=S)[nH]c3cnccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is JDPHBVOXQFGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-8-6-9(2-3-10(8)14)17-12-4-5-15-7-11(12)16-13(17)18/h2-7H,1H3,(H,16,18).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 259.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).