1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid

C9H11N3O3S — CID 43522625

IUPAC1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnns1
InChIInChI=1S/C9H11N3O3S/c13-8(7-5-10-11-16-7)12-4-2-1-3-6(12)9(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyIJCSKQGXDWJTBK-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.62
Rot. Bonds2

About 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid

1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43522625) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID43522625
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnns1
InChIInChI=1S/C9H11N3O3S/c13-8(7-5-10-11-16-7)12-4-2-1-3-6(12)9(14)15/h5-6H,1-4H2,(H,14,15)
InChIKeyIJCSKQGXDWJTBK-UHFFFAOYSA-N
XLogP0.62
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide
CID 65215460
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110835122
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 110835478
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid (CID 43522625) is 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cnns1.
What is the InChIKey of 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is IJCSKQGXDWJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(7-5-10-11-16-7)12-4-2-1-3-6(12)9(14)15/h5-6H,1-4H2,(H,14,15).
What are the key properties of 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43522625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).