2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid

C9H13N3O3S — CID 65270887

IUPAC2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2ncns2)CC1
InChIInChI=1S/C9H13N3O3S/c13-8(14)5-15-7-1-3-12(4-2-7)9-10-6-11-16-9/h6-7H,1-5H2,(H,13,14)
InChIKeyFAMAUTSCJDVYFI-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.61
Rot. Bonds4

About 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid

2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 65270887) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
PubChem CID65270887
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2ncns2)CC1
InChIInChI=1S/C9H13N3O3S/c13-8(14)5-15-7-1-3-12(4-2-7)9-10-6-11-16-9/h6-7H,1-5H2,(H,13,14)
InChIKeyFAMAUTSCJDVYFI-UHFFFAOYSA-N
XLogP0.61
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid (CID 65270887) is 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(c2ncns2)CC1.
What is the InChIKey of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is FAMAUTSCJDVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-8(14)5-15-7-1-3-12(4-2-7)9-10-6-11-16-9/h6-7H,1-5H2,(H,13,14).
What are the key properties of 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 243.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 65270887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).