3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine

C17H15NS2 — CID 15754385

IUPAC3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine
SMILESCSc1cc(-c2ccsc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C17H15NS2/c1-12-16(19-2)10-15(14-8-9-20-11-14)18-17(12)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyADBMVWLHDSIFIB-UHFFFAOYSA-N
MW297.45 g/mol
LogP5.51
Rot. Bonds3

About 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine

3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine (PubChem CID 15754385) has the molecular formula C17H15NS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine
PubChem CID15754385
Molecular FormulaC17H15NS2
Molecular Weight297.45 g/mol
Exact Mass297.06
IUPAC Name3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine
SMILESCSc1cc(-c2ccsc2)nc(-c2ccccc2)c1C
InChIInChI=1S/C17H15NS2/c1-12-16(19-2)10-15(14-8-9-20-11-14)18-17(12)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyADBMVWLHDSIFIB-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733
7-methyl-4-methylsulfanyl-2-phenyl-1,8-naphthyridine
CID 11437060
2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine
CID 15754465
4-methylsulfanyl-3,6-diphenylpyridazine
CID 135021385
1-phenyl-4-thiophen-3-ylphthalazine
CID 59868608
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
2-phenyl-4-thiophen-3-yl-1,3-oxazole
CID 119082929
2-(4-fluorophenyl)-3-(4-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 71699300
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
2,3-di(thiophen-3-yl)benzo[g]quinoxaline
CID 10291206
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
3-(3-methylphenyl)thiophene
CID 4130346

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine?
The IUPAC name of 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine (CID 15754385) is 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine?
The canonical SMILES for 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine is CSc1cc(-c2ccsc2)nc(-c2ccccc2)c1C.
What is the InChIKey of 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine?
The InChIKey is ADBMVWLHDSIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS2/c1-12-16(19-2)10-15(14-8-9-20-11-14)18-17(12)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine?
3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine has a molecular weight of 297.45 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine is sourced from PubChem (CID 15754385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).