1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine

C7H10F3N3S — CID 106430806

IUPAC1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
SMILESCn1ccnc1NCCSC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-13-4-2-11-6(13)12-3-5-14-7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyQKSYFDGDXKIUOK-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine

1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine (PubChem CID 106430806) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
PubChem CID106430806
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
SMILESCn1ccnc1NCCSC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-13-4-2-11-6(13)12-3-5-14-7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyQKSYFDGDXKIUOK-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine (CID 106430806) is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine is Cn1ccnc1NCCSC(F)(F)F.
What is the InChIKey of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine?
The InChIKey is QKSYFDGDXKIUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-13-4-2-11-6(13)12-3-5-14-7(8,9)10/h2,4H,3,5H2,1H3,(H,11,12).
What are the key properties of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine?
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106430806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).