3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide

C11H18N4O2S — CID 82176629

IUPAC3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCC(=O)Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C11H18N4O2S/c1-17-6-4-9(16)13-11-15-14-10(18-11)8-3-2-5-12-7-8/h8,12H,2-7H2,1H3,(H,13,15,16)
InChIKeyTZERNSYMANZOGQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.98
Rot. Bonds5

About 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide

3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 82176629) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID82176629
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOCCC(=O)Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C11H18N4O2S/c1-17-6-4-9(16)13-11-15-14-10(18-11)8-3-2-5-12-7-8/h8,12H,2-7H2,1H3,(H,13,15,16)
InChIKeyTZERNSYMANZOGQ-UHFFFAOYSA-N
XLogP0.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)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-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 82176629) is 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is COCCC(=O)Nc1nnc(C2CCCNC2)s1.
What is the InChIKey of 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is TZERNSYMANZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-17-6-4-9(16)13-11-15-14-10(18-11)8-3-2-5-12-7-8/h8,12H,2-7H2,1H3,(H,13,15,16).
What are the key properties of 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 270.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 82176629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).