3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C16H15N3S — CID 107850751

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3Cc4ccccc4C3)c2n1
InChIInChI=1S/C16H15N3S/c1-10-6-7-14-15(17-10)19(16(20)18-14)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,18,20)
InChIKeyIJCOEALUXFHVMB-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.74
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 107850751) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID107850751
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C3Cc4ccccc4C3)c2n1
InChIInChI=1S/C16H15N3S/c1-10-6-7-14-15(17-10)19(16(20)18-14)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,18,20)
InChIKeyIJCOEALUXFHVMB-UHFFFAOYSA-N
XLogP3.74
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138659
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
CID 106185150
5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548243
3-(2,3-dihydro-1H-inden-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850765
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
CID 81138605
6-bromo-3-(2,3-dihydro-1H-inden-2-yl)-1H-benzimidazole-2-thione
CID 107850730
3-[(2-chlorophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138495
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
5-methyl-3-(1-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81137984
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584
3-(2,6-dichlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138996

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 107850751) is 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C3Cc4ccccc4C3)c2n1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is IJCOEALUXFHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-6-7-14-15(17-10)19(16(20)18-14)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 281.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 107850751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).