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

C8H9N3O4S — CID 117214734

IUPAC5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)6-5(8(13)14)9-10-16-6/h1-4H2,(H,13,14)
InChIKeyJQGIZWSZFWYWIC-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.29
Rot. Bonds2

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

5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid (PubChem CID 117214734) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid
PubChem CID117214734
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1C(=O)N1CCOCC1
InChIInChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)6-5(8(13)14)9-10-16-6/h1-4H2,(H,13,14)
InChIKeyJQGIZWSZFWYWIC-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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Related Compounds

2-[4-(4-Methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[4-(4-Methylthiadiazole-5-carbonyl)morpholin-3-yl]acetic acid
CID 80418766
4-(Morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214312
5-(Morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
5-(Pyrrolidine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214726
5-(Piperidine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214728
5-(Azepane-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214730
5-(Piperazine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214733
5-(4-Methylpiperazine-1-carbonyl)thiadiazole-4-carboxylic acid
CID 117214736
4-(Piperidine-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214907
4-(Morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
CID 117214913
4-(4-Methylpiperazine-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214915

Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid (CID 117214734) is 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1C(=O)N1CCOCC1.
What is the InChIKey of 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid?
The InChIKey is JQGIZWSZFWYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-7(11-1-3-15-4-2-11)6-5(8(13)14)9-10-16-6/h1-4H2,(H,13,14).
What are the key properties of 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid?
5-(morpholine-4-carbonyl)thiadiazole-4-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 5-(morpholine-4-carbonyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).