5-morpholin-4-ylthiadiazole-4-carboxylic acid

C7H9N3O3S — CID 82393871

IUPAC5-morpholin-4-ylthiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1N1CCOCC1
InChIInChI=1S/C7H9N3O3S/c11-7(12)5-6(14-9-8-5)10-1-3-13-4-2-10/h1-4H2,(H,11,12)
InChIKeyLQORUPWGIHIGQP-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.07
Rot. Bonds2

About 5-morpholin-4-ylthiadiazole-4-carboxylic acid

5-morpholin-4-ylthiadiazole-4-carboxylic acid (PubChem CID 82393871) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-morpholin-4-ylthiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-morpholin-4-ylthiadiazole-4-carboxylic acid
PubChem CID82393871
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name5-morpholin-4-ylthiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1N1CCOCC1
InChIInChI=1S/C7H9N3O3S/c11-7(12)5-6(14-9-8-5)10-1-3-13-4-2-10/h1-4H2,(H,11,12)
InChIKeyLQORUPWGIHIGQP-UHFFFAOYSA-N
XLogP0.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylthiadiazole-4-carboxylic acid?
The IUPAC name of 5-morpholin-4-ylthiadiazole-4-carboxylic acid (CID 82393871) is 5-morpholin-4-ylthiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-morpholin-4-ylthiadiazole-4-carboxylic acid?
The canonical SMILES for 5-morpholin-4-ylthiadiazole-4-carboxylic acid is O=C(O)c1nnsc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylthiadiazole-4-carboxylic acid?
The InChIKey is LQORUPWGIHIGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c11-7(12)5-6(14-9-8-5)10-1-3-13-4-2-10/h1-4H2,(H,11,12).
What are the key properties of 5-morpholin-4-ylthiadiazole-4-carboxylic acid?
5-morpholin-4-ylthiadiazole-4-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylthiadiazole-4-carboxylic acid is sourced from PubChem (CID 82393871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).