3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid

C9H13N3O2S — CID 130600056

IUPAC3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cnns2)CCCNC1
InChIInChI=1S/C9H13N3O2S/c13-8(14)9(2-1-3-10-6-9)4-7-5-11-12-15-7/h5,10H,1-4,6H2,(H,13,14)
InChIKeyABHXCBOSZUMTDJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.54
Rot. Bonds3

About 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid

3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 130600056) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
PubChem CID130600056
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2cnns2)CCCNC1
InChIInChI=1S/C9H13N3O2S/c13-8(14)9(2-1-3-10-6-9)4-7-5-11-12-15-7/h5,10H,1-4,6H2,(H,13,14)
InChIKeyABHXCBOSZUMTDJ-UHFFFAOYSA-N
XLogP0.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 79425404
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 103186257
5-[(3-methylazetidin-3-yl)methyl]thiadiazole
CID 130600557
(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 95851404
[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol
CID 130609951

Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid (CID 130600056) is 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(Cc2cnns2)CCCNC1.
What is the InChIKey of 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is ABHXCBOSZUMTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-8(14)9(2-1-3-10-6-9)4-7-5-11-12-15-7/h5,10H,1-4,6H2,(H,13,14).
What are the key properties of 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid?
3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 130600056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).