1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid

C8H12N4O2S — CID 6917210

IUPAC1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
SMILESNc1nnc(N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)
InChIKeyJUCQFZVLBAATER-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.42
Rot. Bonds2

About 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid

1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 6917210) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID6917210
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
SMILESNc1nnc(N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)
InChIKeyJUCQFZVLBAATER-UHFFFAOYSA-N
XLogP0.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid (CID 6917210) is 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid is Nc1nnc(N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is JUCQFZVLBAATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H2,9,10)(H,13,14).
What are the key properties of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 228.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 6917210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).