2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite

C6H12FN3S — CID 138502696

IUPAC2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
SMILESCN1CCN=C1NCCSF
InChIInChI=1S/C6H12FN3S/c1-10-4-2-8-6(10)9-3-5-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyCPFZWCBTDHBQGY-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.50
Rot. Bonds3

About 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite

2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite (PubChem CID 138502696) has the molecular formula C6H12FN3S and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite.

Molecular Properties

Compound Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
PubChem CID138502696
Molecular FormulaC6H12FN3S
Molecular Weight177.25 g/mol
Exact Mass177.07
IUPAC Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
SMILESCN1CCN=C1NCCSF
InChIInChI=1S/C6H12FN3S/c1-10-4-2-8-6(10)9-3-5-11-7/h2-5H2,1H3,(H,8,9)
InChIKeyCPFZWCBTDHBQGY-UHFFFAOYSA-N
XLogP0.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 126979416
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969889
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide
CID 105434539
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969888
3-ethyl-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]pentan-3-ol;hydroiodide
CID 120972354
4-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]butanenitrile
CID 130701760
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972096
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971314
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971479
1-methyl-N-[2-(oxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971020

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite?
The IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite (CID 138502696) is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite.
What is the SMILES notation for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite?
The canonical SMILES for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite is CN1CCN=C1NCCSF.
What is the InChIKey of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite?
The InChIKey is CPFZWCBTDHBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3S/c1-10-4-2-8-6(10)9-3-5-11-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite?
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite has a molecular weight of 177.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite is sourced from PubChem (CID 138502696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).