4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione

C11H14N2S2 — CID 81335708

IUPAC4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Cc1sccc1C
InChIInChI=1S/C11H14N2S2/c1-3-9-6-12-11(14)13(9)7-10-8(2)4-5-15-10/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyUEBATLSHQAUMGN-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.53
Rot. Bonds3

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

4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 81335708) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID81335708
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Cc1sccc1C
InChIInChI=1S/C11H14N2S2/c1-3-9-6-12-11(14)13(9)7-10-8(2)4-5-15-10/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyUEBATLSHQAUMGN-UHFFFAOYSA-N
XLogP3.53
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.53
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

N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
1-(2-Thiophen-2-yl-ethyl)-1,3-dihydro-imidazole-2-thione
CID 10176689
1-(thiophen-2-ylmethyl)-1H-imidazole-2-thiol
CID 10198071
N5,4-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739271
1-(2-Thiophen-3-yl-ethyl)-1,3-dihydro-imidazole-2-thione
CID 14788196
1-(5-Methyl-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788186
4-(5-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142950
4-(4-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142954
1-(5-Fluoro-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788188
2H-Imidazole-2-thione, 1,3-dihydro-4-(2-thienyl)-
CID 3022082
1,1-Dimethyl-3-(thiophen-2-ylmethyl)thiourea
CID 2732032

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione (CID 81335708) is 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1Cc1sccc1C.
What is the InChIKey of 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is UEBATLSHQAUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-3-9-6-12-11(14)13(9)7-10-8(2)4-5-15-10/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 238.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81335708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).