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

C11H13N3S — CID 14922143

IUPAC3-anilino-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-10-8-12-11(15)14(10)13-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,12,15)
InChIKeyWVZBMATWMSTTMW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.98
Rot. Bonds3

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

3-anilino-4-ethyl-1H-imidazole-2-thione (PubChem CID 14922143) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-anilino-4-ethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-anilino-4-ethyl-1H-imidazole-2-thione
PubChem CID14922143
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-anilino-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Nc1ccccc1
InChIInChI=1S/C11H13N3S/c1-2-10-8-12-11(15)14(10)13-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,12,15)
InChIKeyWVZBMATWMSTTMW-UHFFFAOYSA-N
XLogP2.98
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-3-propyl-2-thiourea
CID 2760408
Thiourea, N-ethyl-N'-phenyl-
CID 2063659
N1-ethyl-2-phenylhydrazine-1-carbothioamide
CID 2731067
1,1-Dimethyl-4-phenylthiosemicarbazide
CID 3034493
4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
CID 674716
5-Hexyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
CID 3104627
Hydrazinecarbothioamide, 2-phenyl-N-(phenylmethyl)-
CID 2324360
1-Amino-3-(4-fluorophenyl)-1-methylthiourea
CID 2363269
2-Phenyl-5-propyl-1,2,4-triazolidine-3-thione
CID 2844968
1-Anilino-4,5-dimethyl-imidazole-2-thiol
CID 3006087
N-Methyl-2-phenylhydrazinecarbothioamide
CID 4405145
1-Amino-1-ethyl-3-(4-fluorophenyl)thiourea
CID 2363284

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-ethyl-1H-imidazole-2-thione?
The IUPAC name of 3-anilino-4-ethyl-1H-imidazole-2-thione (CID 14922143) is 3-anilino-4-ethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-anilino-4-ethyl-1H-imidazole-2-thione?
The canonical SMILES for 3-anilino-4-ethyl-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-4-ethyl-1H-imidazole-2-thione?
The InChIKey is WVZBMATWMSTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-10-8-12-11(15)14(10)13-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,12,15).
What are the key properties of 3-anilino-4-ethyl-1H-imidazole-2-thione?
3-anilino-4-ethyl-1H-imidazole-2-thione has a molecular weight of 219.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-ethyl-1H-imidazole-2-thione is sourced from PubChem (CID 14922143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).