3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione

C9H10N2OS — CID 81339214

IUPAC3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Cc1ccco1
InChIInChI=1S/C9H10N2OS/c1-7-5-10-9(13)11(7)6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,13)
InChIKeyVIUUSPZRSRTMJY-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.50
Rot. Bonds2

About 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione

3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 81339214) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione
PubChem CID81339214
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1Cc1ccco1
InChIInChI=1S/C9H10N2OS/c1-7-5-10-9(13)11(7)6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,13)
InChIKeyVIUUSPZRSRTMJY-UHFFFAOYSA-N
XLogP2.50
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione
CID 18523973
1-ethyl-6-(furan-2-ylmethyl)-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79305449
5-chloro-3-(furan-2-ylmethyl)-1H-benzimidazole-2-thione
CID 115469800
4-(furan-2-ylmethyl)-3-(3-hydroxynaphthalen-2-yl)-1H-1,2,4-triazole-5-thione
CID 860816
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
6-bromo-3-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306745
1-(furan-2-ylmethyl)-5-methylimidazole
CID 116798912
3-(furan-2-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 866383
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
3-(furan-2-ylmethyl)-4-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 1227187
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione (CID 81339214) is 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is VIUUSPZRSRTMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7-5-10-9(13)11(7)6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,13).
What are the key properties of 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione?
3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 194.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81339214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).