3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid

C13H19N3O2S — CID 65270148

IUPAC3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H19N3O2S/c17-11(18)7-6-10-3-1-2-8-16(10)13-14-12(15-19-13)9-4-5-9/h9-10H,1-8H2,(H,17,18)
InChIKeyNSTPULUOLJPNKQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid

3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid (PubChem CID 65270148) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
PubChem CID65270148
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C13H19N3O2S/c17-11(18)7-6-10-3-1-2-8-16(10)13-14-12(15-19-13)9-4-5-9/h9-10H,1-8H2,(H,17,18)
InChIKeyNSTPULUOLJPNKQ-UHFFFAOYSA-N
XLogP2.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid 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-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid (CID 65270148) is 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
The InChIKey is NSTPULUOLJPNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-11(18)7-6-10-3-1-2-8-16(10)13-14-12(15-19-13)9-4-5-9/h9-10H,1-8H2,(H,17,18).
What are the key properties of 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid?
3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid has a molecular weight of 281.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65270148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).