3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione

C10H11N3S — CID 62307706

IUPAC3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione
SMILESCc1cccc(Cn2cc[nH]c2=S)n1
InChIInChI=1S/C10H11N3S/c1-8-3-2-4-9(12-8)7-13-6-5-11-10(13)14/h2-6H,7H2,1H3,(H,11,14)
InChIKeyREWHQBKQMJUEPU-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.30
Rot. Bonds2

About 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione

3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione (PubChem CID 62307706) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione
PubChem CID62307706
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione
SMILESCc1cccc(Cn2cc[nH]c2=S)n1
InChIInChI=1S/C10H11N3S/c1-8-3-2-4-9(12-8)7-13-6-5-11-10(13)14/h2-6H,7H2,1H3,(H,11,14)
InChIKeyREWHQBKQMJUEPU-UHFFFAOYSA-N
XLogP2.30
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.30
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

1-[(6-methyl-2-pyridinyl)methyl]indol-4-amine
CID 79268054
3-[(6-methyl-2-pyridinyl)methyl]-4-phenyl-1H-imidazole-2-thione
CID 62309107
3-(pyrimidin-4-ylmethyl)-1H-imidazole-2-thione
CID 21272627
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
3-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-imidazole-2-thione
CID 112670947
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-[(6-methyl-2-pyridinyl)methyl]indole-5-carbothioamide
CID 107920643
4,5-difluoro-3-[(6-methyl-2-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 62532205
5-bromo-1-[(6-methyl-2-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 79261028
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
CID 79261826
1-[(6-methyl-2-pyridinyl)methyl]imidazolidine-2,4,5-trione
CID 62308063

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione (CID 62307706) is 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione is Cc1cccc(Cn2cc[nH]c2=S)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione?
The InChIKey is REWHQBKQMJUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8-3-2-4-9(12-8)7-13-6-5-11-10(13)14/h2-6H,7H2,1H3,(H,11,14).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione?
3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione has a molecular weight of 205.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 62307706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).