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

C9H11N3O3S — CID 117214907

IUPAC4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1C(=O)N1CCCCC1
InChIInChI=1S/C9H11N3O3S/c13-8(12-4-2-1-3-5-12)6-7(9(14)15)16-11-10-6/h1-5H2,(H,14,15)
InChIKeyMCQZTGONZQSJMC-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.86
Rot. Bonds2

About 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid

4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid (PubChem CID 117214907) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid
PubChem CID117214907
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1C(=O)N1CCCCC1
InChIInChI=1S/C9H11N3O3S/c13-8(12-4-2-1-3-5-12)6-7(9(14)15)16-11-10-6/h1-5H2,(H,14,15)
InChIKeyMCQZTGONZQSJMC-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid (CID 117214907) is 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid is O=C(O)c1snnc1C(=O)N1CCCCC1.
What is the InChIKey of 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid?
The InChIKey is MCQZTGONZQSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(12-4-2-1-3-5-12)6-7(9(14)15)16-11-10-6/h1-5H2,(H,14,15).
What are the key properties of 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid?
4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).