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

C13H10FN3OS — CID 79289950

IUPAC3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1F
InChIInChI=1S/C13H10FN3OS/c1-18-11-5-4-8(7-9(11)14)17-12-10(16-13(17)19)3-2-6-15-12/h2-7H,1H3,(H,16,19)
InChIKeyHTFUHJPKOVEYHU-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.23
Rot. Bonds2

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

3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289950) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289950
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1F
InChIInChI=1S/C13H10FN3OS/c1-18-11-5-4-8(7-9(11)14)17-12-10(16-13(17)19)3-2-6-15-12/h2-7H,1H3,(H,16,19)
InChIKeyHTFUHJPKOVEYHU-UHFFFAOYSA-N
XLogP3.23
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]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

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289950) is 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc(-n2c(=S)[nH]c3cccnc32)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is HTFUHJPKOVEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-18-11-5-4-8(7-9(11)14)17-12-10(16-13(17)19)3-2-6-15-12/h2-7H,1H3,(H,16,19).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 275.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).