3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C14H12FN3S — CID 79288566

IUPAC3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(F)c(-n2c(=S)[nH]c3c(C)ccnc32)c1
InChIInChI=1S/C14H12FN3S/c1-8-3-4-10(15)11(7-8)18-13-12(17-14(18)19)9(2)5-6-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyFGVQVVRLXIMSCI-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.84
Rot. Bonds1

About 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288566) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288566
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(F)c(-n2c(=S)[nH]c3c(C)ccnc32)c1
InChIInChI=1S/C14H12FN3S/c1-8-3-4-10(15)11(7-8)18-13-12(17-14(18)19)9(2)5-6-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyFGVQVVRLXIMSCI-UHFFFAOYSA-N
XLogP3.84
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.84
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 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288566) is 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc(F)c(-n2c(=S)[nH]c3c(C)ccnc32)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is FGVQVVRLXIMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-8-3-4-10(15)11(7-8)18-13-12(17-14(18)19)9(2)5-6-16-13/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 273.34 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).