3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid

C12H17N3O3S — CID 81046269

IUPAC3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C12H17N3O3S/c1-8(5-11(16)17)9-3-2-4-15(7-9)12(18)10-6-13-19-14-10/h6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyDAICDGMWIBVAII-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.50
Rot. Bonds4

About 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81046269) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81046269
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C12H17N3O3S/c1-8(5-11(16)17)9-3-2-4-15(7-9)12(18)10-6-13-19-14-10/h6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyDAICDGMWIBVAII-UHFFFAOYSA-N
XLogP1.50
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid (CID 81046269) is 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)c2cnsn2)C1.
What is the InChIKey of 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is DAICDGMWIBVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(5-11(16)17)9-3-2-4-15(7-9)12(18)10-6-13-19-14-10/h6,8-9H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).