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

C8H10N4OS — CID 106407580

IUPAC5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(Cc2noc(C)n2)c(=S)[nH]1
InChIInChI=1S/C8H10N4OS/c1-5-3-12(8(14)9-5)4-7-10-6(2)13-11-7/h3H,4H2,1-2H3,(H,9,14)
InChIKeyLRYGEAMXRWERFN-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.59
Rot. Bonds2

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

5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione (PubChem CID 106407580) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione
PubChem CID106407580
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(Cc2noc(C)n2)c(=S)[nH]1
InChIInChI=1S/C8H10N4OS/c1-5-3-12(8(14)9-5)4-7-10-6(2)13-11-7/h3H,4H2,1-2H3,(H,9,14)
InChIKeyLRYGEAMXRWERFN-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione (CID 106407580) is 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione is Cc1cn(Cc2noc(C)n2)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is LRYGEAMXRWERFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-3-12(8(14)9-5)4-7-10-6(2)13-11-7/h3H,4H2,1-2H3,(H,9,14).
What are the key properties of 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione?
5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 210.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 106407580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).