5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C9H17N3S — CID 79498533

IUPAC5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1CCSC
InChIInChI=1S/C9H17N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h3,8H,1,4-7H2,2H3,(H2,10,11)
InChIKeyFVXRRCUNWCNYGH-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.92
Rot. Bonds5

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

5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498533) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79498533
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1CCSC
InChIInChI=1S/C9H17N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h3,8H,1,4-7H2,2H3,(H2,10,11)
InChIKeyFVXRRCUNWCNYGH-UHFFFAOYSA-N
XLogP0.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79497240
1-[2-(Dimethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79498508
1-Prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498822
1-Ethyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79509498
5-(2-Methylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79510524
1-[2-(Diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79514687
1-Butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79514960
5-(3-Methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 103090577
6-Methyl-1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 108425485
5-(2-Ethylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 116505146
1-Ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 116505150
5-(2-Ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 116505151

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79498533) is 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1CCSC.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is FVXRRCUNWCNYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-5-12-8(4-6-13-2)7-11-9(12)10/h3,8H,1,4-7H2,2H3,(H2,10,11).
What are the key properties of 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).