4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid

C8H9N3O4S — CID 117214913

IUPAC4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1C(=O)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)5-6(8(13)14)16-10-9-5/h1-4H2,(H,13,14)
InChIKeyXPJURYUIVJAUOD-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.29
Rot. Bonds2

About 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid

4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid (PubChem CID 117214913) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
PubChem CID117214913
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1C(=O)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)5-6(8(13)14)16-10-9-5/h1-4H2,(H,13,14)
InChIKeyXPJURYUIVJAUOD-UHFFFAOYSA-N
XLogP-0.29
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid (CID 117214913) is 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid is O=C(O)c1snnc1C(=O)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid?
The InChIKey is XPJURYUIVJAUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)5-6(8(13)14)16-10-9-5/h1-4H2,(H,13,14).
What are the key properties of 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid?
4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).