3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide

C23H27FN4O2S — CID 3269450

IUPAC3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCOCCN(CCC(=O)NCCc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C23H27FN4O2S/c1-30-16-15-28(14-12-22(29)25-13-11-18-5-3-2-4-6-18)23-26-21(27-31-23)17-19-7-9-20(24)10-8-19/h2-10H,11-17H2,1H3,(H,25,29)
InChIKeyPKICUYKVFQQHJQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.47
Rot. Bonds12

About 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide

3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 3269450) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID3269450
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide
SMILESCOCCN(CCC(=O)NCCc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C23H27FN4O2S/c1-30-16-15-28(14-12-22(29)25-13-11-18-5-3-2-4-6-18)23-26-21(27-31-23)17-19-7-9-20(24)10-8-19/h2-10H,11-17H2,1H3,(H,25,29)
InChIKeyPKICUYKVFQQHJQ-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide 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 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide (CID 3269450) is 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide is COCCN(CCC(=O)NCCc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is PKICUYKVFQQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-30-16-15-28(14-12-22(29)25-13-11-18-5-3-2-4-6-18)23-26-21(27-31-23)17-19-7-9-20(24)10-8-19/h2-10H,11-17H2,1H3,(H,25,29).
What are the key properties of 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide?
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3269450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).