methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

C7H10N2O2S — CID 117225161

IUPACmethyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
SMILESCCc1[nH]c(=S)[nH]c1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(12)8-4/h3H2,1-2H3,(H2,8,9,12)
InChIKeyJEDXOBPIAIWUEG-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.42
Rot. Bonds2

About methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate (PubChem CID 117225161) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
PubChem CID117225161
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
SMILESCCc1[nH]c(=S)[nH]c1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(12)8-4/h3H2,1-2H3,(H2,8,9,12)
InChIKeyJEDXOBPIAIWUEG-UHFFFAOYSA-N
XLogP1.42
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(3-hydroxypropyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225305
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
4-ethyl-5-[(E)-2-methoxyprop-1-enyl]-1,3-dihydroimidazole-2-thione
CID 123205900
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 5-(3-methoxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225207
methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225302
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
triethyl-[(5-methoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
CID 20510900
methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
CID 91196285
methyl 5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225224
methyl 6-ethyl-3-iodo-4-oxo-5-propyl-1H-pyridine-2-carboxylate
CID 129299585
methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 13290682

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate (CID 117225161) is methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate is CCc1[nH]c(=S)[nH]c1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is JEDXOBPIAIWUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)9-7(12)8-4/h3H2,1-2H3,(H2,8,9,12).
What are the key properties of methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate?
methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 117225161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).