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

C10H15N3O3S — CID 65270159

IUPAC3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2ncns2)CC1
InChIInChI=1S/C10H15N3O3S/c14-9(15)3-6-16-8-1-4-13(5-2-8)10-11-7-12-17-10/h7-8H,1-6H2,(H,14,15)
InChIKeyJUJAYTIICZHVFQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.00
Rot. Bonds5

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

3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid (PubChem CID 65270159) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
PubChem CID65270159
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2ncns2)CC1
InChIInChI=1S/C10H15N3O3S/c14-9(15)3-6-16-8-1-4-13(5-2-8)10-11-7-12-17-10/h7-8H,1-6H2,(H,14,15)
InChIKeyJUJAYTIICZHVFQ-UHFFFAOYSA-N
XLogP1.00
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
CID 65270887
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
CID 65270092
5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole
CID 65277685
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
3-[1-(4-cyanopyridazin-3-yl)piperidin-4-yl]oxypropanoic acid
CID 80508688
3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 113487066

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid (CID 65270159) is 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(c2ncns2)CC1.
What is the InChIKey of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is JUJAYTIICZHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-9(15)3-6-16-8-1-4-13(5-2-8)10-11-7-12-17-10/h7-8H,1-6H2,(H,14,15).
What are the key properties of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid?
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65270159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).