1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine

C8H15N3S — CID 117193137

IUPAC1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
SMILESCCSCc1cnc(N)n1CC
InChIInChI=1S/C8H15N3S/c1-3-11-7(6-12-4-2)5-10-8(11)9/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyRVGSIABYRVBIEI-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.74
Rot. Bonds4

About 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine

1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine (PubChem CID 117193137) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
PubChem CID117193137
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
SMILESCCSCc1cnc(N)n1CC
InChIInChI=1S/C8H15N3S/c1-3-11-7(6-12-4-2)5-10-8(11)9/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyRVGSIABYRVBIEI-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-ethylimidazol-2-amine
CID 117260387
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
1-ethyl-5-(2-methylcyclopropyl)imidazol-2-amine
CID 130698488
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
CID 117193132
3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 511741
5-(4-bromophenyl)-1-ethylimidazol-2-amine
CID 6917234
5-cyclopenta-1,3-dien-1-yl-1-ethylimidazol-2-amine
CID 126660229
1-propan-2-yl-5-(propan-2-ylsulfanylmethyl)imidazol-2-amine
CID 117193170
1-[(2-ethylpyrazol-3-yl)methyl]-5-methylimidazol-2-amine
CID 114557114
1-ethyl-5-(3-methylphenyl)imidazol-2-amine
CID 45156658
5-bromo-2-(ethylsulfanylmethyl)-1H-imidazole
CID 117187407
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine?
The IUPAC name of 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine (CID 117193137) is 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine is CCSCc1cnc(N)n1CC.
What is the InChIKey of 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine?
The InChIKey is RVGSIABYRVBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-11-7(6-12-4-2)5-10-8(11)9/h5H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine?
1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine is sourced from PubChem (CID 117193137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).