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

C10H15N3O2S — CID 65270092

IUPAC3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(c2ncns2)C1
InChIInChI=1S/C10H15N3O2S/c14-9(15)4-3-8-2-1-5-13(6-8)10-11-7-12-16-10/h7-8H,1-6H2,(H,14,15)
InChIKeyUMDVXFLDWARMBR-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.62
Rot. Bonds4

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

3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid (PubChem CID 65270092) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
PubChem CID65270092
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(c2ncns2)C1
InChIInChI=1S/C10H15N3O2S/c14-9(15)4-3-8-2-1-5-13(6-8)10-11-7-12-16-10/h7-8H,1-6H2,(H,14,15)
InChIKeyUMDVXFLDWARMBR-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
CID 65274887
[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
5-[3-(chloromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 65277809
3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
CID 117002682
3-[1-(3-bromo-5-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 103518914
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid (CID 65270092) is 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(c2ncns2)C1.
What is the InChIKey of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid?
The InChIKey is UMDVXFLDWARMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-9(15)4-3-8-2-1-5-13(6-8)10-11-7-12-16-10/h7-8H,1-6H2,(H,14,15).
What are the key properties of 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid?
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 65270092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).