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

C15H21FN4S — CID 62985751

IUPAC4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H21FN4S/c1-4-9-17-15-14(18-19-21-15)10-20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyMLVWUELOFUGHGJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.69
Rot. Bonds7

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

4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62985751) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62985751
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H21FN4S/c1-4-9-17-15-14(18-19-21-15)10-20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyMLVWUELOFUGHGJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.69
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-propylthiadiazol-5-amine?
The IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62985751) is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C(C)c1ccccc1F.
What is the InChIKey of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is MLVWUELOFUGHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-4-9-17-15-14(18-19-21-15)10-20(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,17H,4,9-10H2,1-3H3.
What are the key properties of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 308.43 g/mol, XLogP of 3.69, 7 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-propylthiadiazol-5-amine is sourced from PubChem (CID 62985751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).