4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid

C8H11N3O3S — CID 117214312

IUPAC4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CN1CCOCC1
InChIInChI=1S/C8H11N3O3S/c12-8(13)7-6(9-10-15-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyPIOBZQUYNRFDEJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.07
Rot. Bonds3

About 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid

4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid (PubChem CID 117214312) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid
PubChem CID117214312
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CN1CCOCC1
InChIInChI=1S/C8H11N3O3S/c12-8(13)7-6(9-10-15-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyPIOBZQUYNRFDEJ-UHFFFAOYSA-N
XLogP0.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(Dimethylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214296
4-(Pyrrolidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214299
4-(Piperidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214302
4-(Azepan-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214305
4-(Piperazin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214311
4-[(4-Methylpiperazin-1-yl)methyl]thiadiazole-5-carboxylic acid
CID 117214315
5-(Morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
5-(Morpholine-4-carbonyl)thiadiazole-4-carboxylic acid
CID 117214734
4-(Morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
CID 117214913

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid (CID 117214312) is 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid is O=C(O)c1snnc1CN1CCOCC1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid?
The InChIKey is PIOBZQUYNRFDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-8(13)7-6(9-10-15-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13).
What are the key properties of 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid?
4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).