3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione

C9H9N3OS — CID 10584450

IUPAC3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-n2cc[nH]c2=S)nc1
InChIInChI=1S/C9H9N3OS/c1-13-7-2-3-8(11-6-7)12-5-4-10-9(12)14/h2-6H,1H3,(H,10,14)
InChIKeyYPLGZCAXMYWUSS-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.94
Rot. Bonds2

About 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione

3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione (PubChem CID 10584450) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione
PubChem CID10584450
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-n2cc[nH]c2=S)nc1
InChIInChI=1S/C9H9N3OS/c1-13-7-2-3-8(11-6-7)12-5-4-10-9(12)14/h2-6H,1H3,(H,10,14)
InChIKeyYPLGZCAXMYWUSS-UHFFFAOYSA-N
XLogP1.94
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-dimethoxy-2-pyridinyl)-1H-imidazole-2-thione
CID 10847477
1-(5-methoxy-2-pyridinyl)pyrrole-2-carbothioamide
CID 106505007
3-ethyl-1-(5-methoxy-2-pyridinyl)azetidin-3-amine
CID 106505258
3-(2,4-dimethoxyphenyl)-1H-imidazol-2-one
CID 103125116
1-(5-methoxy-2-pyridinyl)pyrazol-4-amine
CID 106504699
3-(4-bromo-3-methoxyphenyl)-1H-imidazole-2-thione
CID 82859389
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
5-methoxy-1H-pyrimidine-2-thione
CID 12745130
3-(4-methylphenyl)-1H-imidazole-2-thione;zinc
CID 174450728
4-(2,4-dimethoxyphenyl)-3-methyl-1H-imidazole-2-thione
CID 118671646
2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine
CID 135394378

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione (CID 10584450) is 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione is COc1ccc(-n2cc[nH]c2=S)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione?
The InChIKey is YPLGZCAXMYWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-7-2-3-8(11-6-7)12-5-4-10-9(12)14/h2-6H,1H3,(H,10,14).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione?
3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione has a molecular weight of 207.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-1H-imidazole-2-thione is sourced from PubChem (CID 10584450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).