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

C13H17FN4S — CID 62207089

IUPACN-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyNWTHKPVYXOQOLM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.74
Rot. Bonds6

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

N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine (PubChem CID 62207089) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine
PubChem CID62207089
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC NameN-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyNWTHKPVYXOQOLM-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine (CID 62207089) is N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine is CCNc1snnc1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine?
The InChIKey is NWTHKPVYXOQOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-4-6-11(14)7-5-10/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(4-fluorophenyl)methyl-methylamino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62207089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).