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

C8H12N4O2S — CID 122172593

IUPAC1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
SMILESNc1nnc(N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-2-5(4-12)6(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)
InChIKeyVTQKSJDOQVCEJA-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.42
Rot. Bonds2

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

1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 122172593) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID122172593
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
SMILESNc1nnc(N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-2-5(4-12)6(13)14/h5H,1-4H2,(H2,9,10)(H,13,14)
InChIKeyVTQKSJDOQVCEJA-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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Related Compounds

1-(5-amino-1,3,4-thiadiazol-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 154565221
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 82058188
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
CID 166605809
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
1-(thiatriazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117045236

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid (CID 122172593) is 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid is Nc1nnc(N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is VTQKSJDOQVCEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-7-10-11-8(15-7)12-3-1-2-5(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-3-carboxylic acid?
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 122172593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).