5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione

C8H10N4OS — CID 130870997

IUPAC5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione
SMILESCc1cn(C(C)c2ncon2)c(=S)[nH]1
InChIInChI=1S/C8H10N4OS/c1-5-3-12(8(14)10-5)6(2)7-9-4-13-11-7/h3-4,6H,1-2H3,(H,10,14)
InChIKeyVIQLMQFMZSKKLM-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.85
Rot. Bonds2

About 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione

5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 130870997) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione
PubChem CID130870997
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione
SMILESCc1cn(C(C)c2ncon2)c(=S)[nH]1
InChIInChI=1S/C8H10N4OS/c1-5-3-12(8(14)10-5)6(2)7-9-4-13-11-7/h3-4,6H,1-2H3,(H,10,14)
InChIKeyVIQLMQFMZSKKLM-UHFFFAOYSA-N
XLogP1.85
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione (CID 130870997) is 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione is Cc1cn(C(C)c2ncon2)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is VIQLMQFMZSKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-3-12(8(14)10-5)6(2)7-9-4-13-11-7/h3-4,6H,1-2H3,(H,10,14).
What are the key properties of 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione?
5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 210.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 130870997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).