methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate

C9H15N3O2S — CID 103545530

IUPACmethyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCSC)c1N
InChIInChI=1S/C9H15N3O2S/c1-6-11-7(9(13)14-2)8(10)12(6)4-5-15-3/h4-5,10H2,1-3H3
InChIKeySBWLWTXWNNUBBA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.92
Rot. Bonds4

About methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate

methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate (PubChem CID 103545530) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
PubChem CID103545530
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCSC)c1N
InChIInChI=1S/C9H15N3O2S/c1-6-11-7(9(13)14-2)8(10)12(6)4-5-15-3/h4-5,10H2,1-3H3
InChIKeySBWLWTXWNNUBBA-UHFFFAOYSA-N
XLogP0.92
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 5-amino-1-[3-(ethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
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methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
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methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
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methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
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methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
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methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
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methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
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methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 63330208
methyl 5-amino-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylimidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate (CID 103545530) is methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate is COC(=O)c1nc(C)n(CCSC)c1N.
What is the InChIKey of methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate?
The InChIKey is SBWLWTXWNNUBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-11-7(9(13)14-2)8(10)12(6)4-5-15-3/h4-5,10H2,1-3H3.
What are the key properties of methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate?
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).