2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine

C11H21N3S — CID 62224906

IUPAC2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(CCSC)c(N)n1C(C)C
InChIInChI=1S/C11H21N3S/c1-5-10-13-9(6-7-15-4)11(12)14(10)8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyGSMQSWWGEFEZRP-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.51
Rot. Bonds5

About 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine

2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62224906) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62224906
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(CCSC)c(N)n1C(C)C
InChIInChI=1S/C11H21N3S/c1-5-10-13-9(6-7-15-4)11(12)14(10)8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyGSMQSWWGEFEZRP-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine (CID 62224906) is 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine is CCc1nc(CCSC)c(N)n1C(C)C.
What is the InChIKey of 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is GSMQSWWGEFEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-10-13-9(6-7-15-4)11(12)14(10)8(2)3/h8H,5-7,12H2,1-4H3.
What are the key properties of 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 227.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62224906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).