4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine

C13H17FN4S — CID 62985570

IUPAC4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C13H17FN4S/c1-9(10-6-4-5-7-11(10)14)18(3)8-12-13(15-2)19-17-16-12/h4-7,9,15H,8H2,1-3H3
InChIKeySKQMEAGWBTYDBN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.91
Rot. Bonds5

About 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine

4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62985570) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62985570
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C13H17FN4S/c1-9(10-6-4-5-7-11(10)14)18(3)8-12-13(15-2)19-17-16-12/h4-7,9,15H,8H2,1-3H3
InChIKeySKQMEAGWBTYDBN-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine (CID 62985570) is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)C(C)c1ccccc1F.
What is the InChIKey of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is SKQMEAGWBTYDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-9(10-6-4-5-7-11(10)14)18(3)8-12-13(15-2)19-17-16-12/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62985570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).