1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine

C13H16FN3OS — CID 47075319

IUPAC1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
SMILESCOc1nnc(CN(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H16FN3OS/c1-9(10-4-6-11(14)7-5-10)17(2)8-12-15-16-13(18-3)19-12/h4-7,9H,8H2,1-3H3
InChIKeyJGTDTBCGKLTGQF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine

1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine (PubChem CID 47075319) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
PubChem CID47075319
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
SMILESCOc1nnc(CN(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H16FN3OS/c1-9(10-4-6-11(14)7-5-10)17(2)8-12-15-16-13(18-3)19-12/h4-7,9H,8H2,1-3H3
InChIKeyJGTDTBCGKLTGQF-UHFFFAOYSA-N
XLogP2.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine (CID 47075319) is 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine is COc1nnc(CN(C)C(C)c2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The InChIKey is JGTDTBCGKLTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-9(10-4-6-11(14)7-5-10)17(2)8-12-15-16-13(18-3)19-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 47075319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).