3-anilino-4-methyl-1H-imidazole-2-thione

C10H11N3S — CID 14922142

IUPAC3-anilino-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C10H11N3S/c1-8-7-11-10(14)13(8)12-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,11,14)
InChIKeyJLXMYLOOHAJGAY-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.73
Rot. Bonds2

About 3-anilino-4-methyl-1H-imidazole-2-thione

3-anilino-4-methyl-1H-imidazole-2-thione (PubChem CID 14922142) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-anilino-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-anilino-4-methyl-1H-imidazole-2-thione
PubChem CID14922142
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-anilino-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C10H11N3S/c1-8-7-11-10(14)13(8)12-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,11,14)
InChIKeyJLXMYLOOHAJGAY-UHFFFAOYSA-N
XLogP2.73
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-anilino-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-anilino-4-methyl-1H-imidazole-2-thione (CID 14922142) is 3-anilino-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-anilino-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-anilino-4-methyl-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-4-methyl-1H-imidazole-2-thione?
The InChIKey is JLXMYLOOHAJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8-7-11-10(14)13(8)12-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,11,14).
What are the key properties of 3-anilino-4-methyl-1H-imidazole-2-thione?
3-anilino-4-methyl-1H-imidazole-2-thione has a molecular weight of 205.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 14922142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).