3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione

C16H18N2S — CID 106522502

IUPAC3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2cccc(C3CCC3)c2)c(=S)[nH]c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyQBEIJDZYAASHKY-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.69
Rot. Bonds2

About 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione

3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106522502) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106522502
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2cccc(C3CCC3)c2)c(=S)[nH]c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyQBEIJDZYAASHKY-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522370
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
CID 106522498
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
4-(3-cyclohexylphenyl)-3,5-dimethyl-1H-pyrazole
CID 91429173
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106522452
6-(3-cyclobutylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 114607003
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
2-(3-cyclobutylphenyl)-5-methylaniline
CID 114605152
6-(3-cyclobutylphenyl)-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 114607011
6-(3-cyclobutylphenyl)-5-nitropyridin-2-amine
CID 114606997

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (CID 106522502) is 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is Cc1nc(-c2cccc(C3CCC3)c2)c(=S)[nH]c1C.
What is the InChIKey of 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is QBEIJDZYAASHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 270.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106522502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).