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

Analyze 4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepane-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214909
morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
CID 100752350
5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiadiazol-5-yl]morpholine-4-carboxamide
CID 17037005
[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 110253411
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 4736510
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
[9-(morpholine-4-carbonyl)-7-thia-2,3,4,10,11,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaen-5-yl]-morpholin-4-ylmethanone
CID 1493520
(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
CID 117214630
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128

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).