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

C17H17N3S — CID 79277584

IUPAC7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1CCCc2ccccc21
InChIInChI=1S/C17H17N3S/c1-11-9-10-18-16-15(11)19-17(21)20(16)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,21)
InChIKeyKGWSZOQOFMWLMM-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.33
Rot. Bonds1

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

7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79277584) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79277584
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C1CCCc2ccccc21
InChIInChI=1S/C17H17N3S/c1-11-9-10-18-16-15(11)19-17(21)20(16)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,21)
InChIKeyKGWSZOQOFMWLMM-UHFFFAOYSA-N
XLogP4.33
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.33
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-(2,3-dihydro-1H-inden-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850765
3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79277586
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
3-(2,4-dihydroxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 135487502
2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide
CID 154264062
3-[(3E,6E)-6-hydroxyocta-3,6-dien-4-yl]-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione;propane
CID 143627785
3-(phenoxymethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 11588092
5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid
CID 68663402
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
7-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288491

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79277584) is 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2C1CCCc2ccccc21.
What is the InChIKey of 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is KGWSZOQOFMWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-9-10-18-16-15(11)19-17(21)20(16)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,21).
What are the key properties of 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 295.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79277584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).