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

C14H19N3S — CID 79362927

IUPAC6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1C(C)(C)C1(C)C
InChIInChI=1S/C14H19N3S/c1-8-6-9-10(15-7-8)17(12(18)16-9)11-13(2,3)14(11,4)5/h6-7,11H,1-5H3,(H,16,18)
InChIKeyAZVORAQAQURPTR-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.01
Rot. Bonds1

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

6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79362927) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79362927
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2C1C(C)(C)C1(C)C
InChIInChI=1S/C14H19N3S/c1-8-6-9-10(15-7-8)17(12(18)16-9)11-13(2,3)14(11,4)5/h6-7,11H,1-5H3,(H,16,18)
InChIKeyAZVORAQAQURPTR-UHFFFAOYSA-N
XLogP4.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.01
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 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79362927) is 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2C1C(C)(C)C1(C)C.
What is the InChIKey of 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is AZVORAQAQURPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-8-6-9-10(15-7-8)17(12(18)16-9)11-13(2,3)14(11,4)5/h6-7,11H,1-5H3,(H,16,18).
What are the key properties of 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 261.39 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79362927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).