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

C14H12FN3S — CID 79288708

IUPAC3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(F)cc1-n1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C14H12FN3S/c1-8-3-4-10(15)7-11(8)18-13-12(17-14(18)19)9(2)5-6-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyJWCITFPDYSHGFX-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.84
Rot. Bonds1

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

3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288708) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288708
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc(F)cc1-n1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C14H12FN3S/c1-8-3-4-10(15)7-11(8)18-13-12(17-14(18)19)9(2)5-6-16-13/h3-7H,1-2H3,(H,17,19)
InChIKeyJWCITFPDYSHGFX-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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Related Compounds

5-fluoro-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 82015748
3-(2-fluoro-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288566
3-(4-chloro-2-fluorophenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288500
7-methyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79276288
3-(2-bromo-5-chlorophenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81281096
3-bromo-4-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 107791586
1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296457
3-(3-bromo-5-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107584319
7-methyl-3-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288006
3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 115407756
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288708) is 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc(F)cc1-n1c(=S)[nH]c2c(C)ccnc21.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is JWCITFPDYSHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-8-3-4-10(15)7-11(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-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).