2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid

C10H13N3O3S — CID 78980886

IUPAC2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C10H13N3O3S/c14-9(15)5-7-1-3-13(4-2-7)10(16)8-6-11-17-12-8/h6-7H,1-5H2,(H,14,15)
InChIKeyYTKOSBAPHPDXSY-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.87
Rot. Bonds3

About 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 78980886) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID78980886
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C10H13N3O3S/c14-9(15)5-7-1-3-13(4-2-7)10(16)8-6-11-17-12-8/h6-7H,1-5H2,(H,14,15)
InChIKeyYTKOSBAPHPDXSY-UHFFFAOYSA-N
XLogP0.87
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid (CID 78980886) is 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cnsn2)CC1.
What is the InChIKey of 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is YTKOSBAPHPDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(15)5-7-1-3-13(4-2-7)10(16)8-6-11-17-12-8/h6-7H,1-5H2,(H,14,15).
What are the key properties of 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78980886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).