3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C13H18N4S — CID 79288942

IUPAC3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCN(C)C1CC1
InChIInChI=1S/C13H18N4S/c1-9-5-6-14-12-11(9)15-13(18)17(12)8-7-16(2)10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyYSNUXILUSOTRJP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.50
Rot. Bonds4

About 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288942) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288942
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2CCN(C)C1CC1
InChIInChI=1S/C13H18N4S/c1-9-5-6-14-12-11(9)15-13(18)17(12)8-7-16(2)10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyYSNUXILUSOTRJP-UHFFFAOYSA-N
XLogP2.50
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-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-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288942) is 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2CCN(C)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is YSNUXILUSOTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-5-6-14-12-11(9)15-13(18)17(12)8-7-16(2)10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 262.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).