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

C15H16N4S — CID 82742656

IUPAC3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCc1cccnc1Cn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C15H16N4S/c1-3-11-5-4-7-16-12(11)9-19-14-13(18-15(19)20)10(2)6-8-17-14/h4-8H,3,9H2,1-2H3,(H,18,20)
InChIKeyQHJCHWCGQWXIBJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.41
Rot. Bonds3

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

3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 82742656) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID82742656
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCc1cccnc1Cn1c(=S)[nH]c2c(C)ccnc21
InChIInChI=1S/C15H16N4S/c1-3-11-5-4-7-16-12(11)9-19-14-13(18-15(19)20)10(2)6-8-17-14/h4-8H,3,9H2,1-2H3,(H,18,20)
InChIKeyQHJCHWCGQWXIBJ-UHFFFAOYSA-N
XLogP3.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-pentyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288273
7-methyl-3-(2-pyrazol-1-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288641
3-(2,2-dimethylpropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288212
3-(2-fluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504394
3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106301770
3-(2,2-difluoroethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 115407756
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79287910
7-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290389
5-bromo-3-[(3-ethyl-2-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 82742818
3-(cyclopropylmethyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288920
3-ethyl-1-methyl-6-[(3-methyl-2-pyridinyl)methyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79300178
3-(2-methoxypropyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 102699310

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 82742656) is 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is CCc1cccnc1Cn1c(=S)[nH]c2c(C)ccnc21.
What is the InChIKey of 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QHJCHWCGQWXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-11-5-4-7-16-12(11)9-19-14-13(18-15(19)20)10(2)6-8-17-14/h4-8H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 284.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-pyridinyl)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 82742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).