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

C10H15N3O2S — CID 82477518

IUPAC3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nnc(N2CCCCC2)s1
InChIInChI=1S/C10H15N3O2S/c14-9(15)5-4-8-11-12-10(16-8)13-6-2-1-3-7-13/h1-7H2,(H,14,15)
InChIKeyDIYBTERECDYETC-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.55
Rot. Bonds4

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

3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid (PubChem CID 82477518) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
PubChem CID82477518
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
SMILESO=C(O)CCc1nnc(N2CCCCC2)s1
InChIInChI=1S/C10H15N3O2S/c14-9(15)5-4-8-11-12-10(16-8)13-6-2-1-3-7-13/h1-7H2,(H,14,15)
InChIKeyDIYBTERECDYETC-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid (CID 82477518) is 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid is O=C(O)CCc1nnc(N2CCCCC2)s1.
What is the InChIKey of 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid?
The InChIKey is DIYBTERECDYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-9(15)5-4-8-11-12-10(16-8)13-6-2-1-3-7-13/h1-7H2,(H,14,15).
What are the key properties of 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid?
3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82477518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).