3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole

C15H18FN3OS — CID 43949590

IUPAC3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCCN1c1nsnc1OCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3OS/c1-11-4-2-3-9-19(11)14-15(18-21-17-14)20-10-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMLPBPWCSOLZXQK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.63
Rot. Bonds4

About 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole

3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949590) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949590
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCCCN1c1nsnc1OCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3OS/c1-11-4-2-3-9-19(11)14-15(18-21-17-14)20-10-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyMLPBPWCSOLZXQK-UHFFFAOYSA-N
XLogP3.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole 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-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949590) is 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCCCN1c1nsnc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is MLPBPWCSOLZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-11-4-2-3-9-19(11)14-15(18-21-17-14)20-10-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 307.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).