3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione

C15H18N2OS — CID 106521275

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCOc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)cc1C
InChIInChI=1S/C15H18N2OS/c1-8-7-13(18-5)9(2)6-12(8)14-15(19)17-11(4)10(3)16-14/h6-7H,1-5H3,(H,17,19)
InChIKeyNOIKNILDQZJPJD-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.05
Rot. Bonds2

About 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione

3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106521275) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106521275
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCOc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)cc1C
InChIInChI=1S/C15H18N2OS/c1-8-7-13(18-5)9(2)6-12(8)14-15(19)17-11(4)10(3)16-14/h6-7H,1-5H3,(H,17,19)
InChIKeyNOIKNILDQZJPJD-UHFFFAOYSA-N
XLogP4.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.05
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-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 114055040
5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
CID 106520357
5,6-dimethyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazine-2-thione
CID 106514817
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136770031
6-(4-methoxy-2,5-dimethylphenyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 46998821
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 116894689
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (CID 106521275) is 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is COc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is NOIKNILDQZJPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-8-7-13(18-5)9(2)6-12(8)14-15(19)17-11(4)10(3)16-14/h6-7H,1-5H3,(H,17,19).
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 274.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106521275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).