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

C13H10FN3S — CID 79296457

IUPAC1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1ccc(F)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H10FN3S/c1-8-2-3-9(14)6-12(8)17-11-4-5-15-7-10(11)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyPAOAXORRXHKULX-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.53
Rot. Bonds1

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

1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296457) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296457
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1ccc(F)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C13H10FN3S/c1-8-2-3-9(14)6-12(8)17-11-4-5-15-7-10(11)16-13(17)18/h2-7H,1H3,(H,16,18)
InChIKeyPAOAXORRXHKULX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
CID 79295565
1-(2-fluoro-4-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295374
1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296087
1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296192
5-bromo-6-fluoro-3-(5-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 116737477
3-(5-fluoro-2-methylphenyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288708
1-(5-chloro-2,4-dimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79272608
1-(2-chloro-5-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 152605338
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154
6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43659444
1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296550
6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43660688

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296457) is 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is Cc1ccc(F)cc1-n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is PAOAXORRXHKULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-8-2-3-9(14)6-12(8)17-11-4-5-15-7-10(11)16-13(17)18/h2-7H,1H3,(H,16,18).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).