3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole

C16H21N3OS — CID 43949624

IUPAC3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OC(C)c2ccccc2)CC1
InChIInChI=1S/C16H21N3OS/c1-12-8-10-19(11-9-12)15-16(18-21-17-15)20-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYHOVHRALOSBWSG-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.91
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole

3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole (PubChem CID 43949624) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole
PubChem CID43949624
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OC(C)c2ccccc2)CC1
InChIInChI=1S/C16H21N3OS/c1-12-8-10-19(11-9-12)15-16(18-21-17-15)20-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYHOVHRALOSBWSG-UHFFFAOYSA-N
XLogP3.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-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-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole (CID 43949624) is 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole is CC1CCN(c2nsnc2OC(C)c2ccccc2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole?
The InChIKey is YHOVHRALOSBWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-8-10-19(11-9-12)15-16(18-21-17-15)20-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole?
3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-4-(1-phenylethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43949624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).