7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione

C12H17N3S — CID 79288273

IUPAC7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C12H17N3S/c1-3-4-5-8-15-11-10(14-12(15)16)9(2)6-7-13-11/h6-7H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyUVGWLYJZYPEIFL-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.59
Rot. Bonds4

About 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione

7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288273) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288273
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCCCn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C12H17N3S/c1-3-4-5-8-15-11-10(14-12(15)16)9(2)6-7-13-11/h6-7H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyUVGWLYJZYPEIFL-UHFFFAOYSA-N
XLogP3.59
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methyl-3-pentyl-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 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288273) is 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione is CCCCCn1c(=S)[nH]c2c(C)ccnc21.
What is the InChIKey of 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is UVGWLYJZYPEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-4-5-8-15-11-10(14-12(15)16)9(2)6-7-13-11/h6-7H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 235.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).