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

C8H10N4O3S — CID 117214733

IUPAC5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)N1CCNCC1
InChIInChI=1S/C8H10N4O3S/c13-7(12-3-1-9-2-4-12)6-5(8(14)15)10-11-16-6/h9H,1-4H2,(H,14,15)
InChIKeyRSHPTKGJHMSJBF-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.72
Rot. Bonds2

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

5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid (PubChem CID 117214733) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid
PubChem CID117214733
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)N1CCNCC1
InChIInChI=1S/C8H10N4O3S/c13-7(12-3-1-9-2-4-12)6-5(8(14)15)10-11-16-6/h9H,1-4H2,(H,14,15)
InChIKeyRSHPTKGJHMSJBF-UHFFFAOYSA-N
XLogP-0.72
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid (CID 117214733) is 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1C(=O)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid?
The InChIKey is RSHPTKGJHMSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c13-7(12-3-1-9-2-4-12)6-5(8(14)15)10-11-16-6/h9H,1-4H2,(H,14,15).
What are the key properties of 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid?
5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).