6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione

C14H13N3S2 — CID 79293038

IUPAC6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCSc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)cc1
InChIInChI=1S/C14H13N3S2/c1-9-7-12-13(15-8-9)17(14(18)16-12)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,16,18)
InChIKeyIPAKVELNLZUKMY-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.11
Rot. Bonds2

About 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione

6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79293038) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79293038
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCSc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)cc1
InChIInChI=1S/C14H13N3S2/c1-9-7-12-13(15-8-9)17(14(18)16-12)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,16,18)
InChIKeyIPAKVELNLZUKMY-UHFFFAOYSA-N
XLogP4.11
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79293038) is 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is CSc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)cc1.
What is the InChIKey of 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is IPAKVELNLZUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-7-12-13(15-8-9)17(14(18)16-12)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,16,18).
What are the key properties of 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 287.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79293038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).