1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

C8H17N3S — CID 79509498

IUPAC1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1CCSC
InChIInChI=1S/C8H17N3S/c1-3-11-7(4-5-12-2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyNKPGGAOHJOFWBE-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.76
Rot. Bonds4

About 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79509498) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79509498
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1CCSC
InChIInChI=1S/C8H17N3S/c1-3-11-7(4-5-12-2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyNKPGGAOHJOFWBE-UHFFFAOYSA-N
XLogP0.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79509498) is 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1CCSC.
What is the InChIKey of 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NKPGGAOHJOFWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-3-11-7(4-5-12-2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 187.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).