5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one

C9H15N3OS — CID 79966954

IUPAC5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCSC
InChIInChI=1S/C9H15N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h3,7H,1,4-6H2,2H3,(H2,10,11,13)
InChIKeyLKDAZCDEOOMIHG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.09
Rot. Bonds5

About 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79966954) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79966954
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCSC
InChIInChI=1S/C9H15N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h3,7H,1,4-6H2,2H3,(H2,10,11,13)
InChIKeyLKDAZCDEOOMIHG-UHFFFAOYSA-N
XLogP1.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(3-methylsulfanylpropyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 103090612
2-(5-amino-2-oxo-3-prop-2-enyl-4H-imidazol-4-yl)-N-ethylacetamide
CID 79967782
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964
5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one
CID 79968261
5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967051
5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967975
5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967427
5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967692
5-amino-4-heptyl-3-propyl-4H-imidazol-2-one
CID 79961419
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
CID 79960449
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
5-amino-4-hexyl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968090

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79966954) is 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1CCSC.
What is the InChIKey of 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is LKDAZCDEOOMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-5-12-7(4-6-14-2)8(10)11-9(12)13/h3,7H,1,4-6H2,2H3,(H2,10,11,13).
What are the key properties of 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 213.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylsulfanylethyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79966954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).