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

C10H11N3S — CID 81138659

IUPAC3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3CC3)c2n1
InChIInChI=1S/C10H11N3S/c1-6-2-5-8-9(11-6)13(7-3-4-7)10(14)12-8/h2,5,7H,3-4H2,1H3,(H,12,14)
InChIKeyBZWLRQRTJDFVCT-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.74
Rot. Bonds1

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

3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138659) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138659
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3CC3)c2n1
InChIInChI=1S/C10H11N3S/c1-6-2-5-8-9(11-6)13(7-3-4-7)10(14)12-8/h2,5,7H,3-4H2,1H3,(H,12,14)
InChIKeyBZWLRQRTJDFVCT-UHFFFAOYSA-N
XLogP2.74
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138659) is 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C3CC3)c2n1.
What is the InChIKey of 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is BZWLRQRTJDFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-2-5-8-9(11-6)13(7-3-4-7)10(14)12-8/h2,5,7H,3-4H2,1H3,(H,12,14).
What are the key properties of 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 205.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).