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

C14H19FN4S — CID 62985571

IUPACN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-4-16-14-13(17-18-20-14)9-19(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyPJVJUGUGSSCOHY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.30
Rot. Bonds6

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

N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine (PubChem CID 62985571) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine
PubChem CID62985571
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C(C)c1ccccc1F
InChIInChI=1S/C14H19FN4S/c1-4-16-14-13(17-18-20-14)9-19(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3
InChIKeyPJVJUGUGSSCOHY-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine (CID 62985571) is N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine is CCNc1snnc1CN(C)C(C)c1ccccc1F.
What is the InChIKey of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine?
The InChIKey is PJVJUGUGSSCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-4-16-14-13(17-18-20-14)9-19(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine has a molecular weight of 294.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62985571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).