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

C14H18FN3OS — CID 47069110

IUPACN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCOc1nnc(CN(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C14H18FN3OS/c1-4-19-14-17-16-13(20-14)9-18(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyPRYHKHCKYQOKJL-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.27
Rot. Bonds6

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

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 47069110) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID47069110
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCOc1nnc(CN(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C14H18FN3OS/c1-4-19-14-17-16-13(20-14)9-18(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyPRYHKHCKYQOKJL-UHFFFAOYSA-N
XLogP3.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-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 N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine (CID 47069110) is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine is CCOc1nnc(CN(C)C(C)c2ccc(F)cc2)s1.
What is the InChIKey of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is PRYHKHCKYQOKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-4-19-14-17-16-13(20-14)9-18(3)10(2)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 295.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 47069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).