2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid

C8H11N3O3S — CID 131101568

IUPAC2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid
SMILESCC1OCCN(c2ncns2)C1C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-5-6(7(12)13)11(2-3-14-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyQIDGQWWEWVNAPR-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.22
Rot. Bonds2

About 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid

2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid (PubChem CID 131101568) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid
PubChem CID131101568
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid
SMILESCC1OCCN(c2ncns2)C1C(=O)O
InChIInChI=1S/C8H11N3O3S/c1-5-6(7(12)13)11(2-3-14-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyQIDGQWWEWVNAPR-UHFFFAOYSA-N
XLogP0.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid (CID 131101568) is 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid is CC1OCCN(c2ncns2)C1C(=O)O.
What is the InChIKey of 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid?
The InChIKey is QIDGQWWEWVNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-6(7(12)13)11(2-3-14-5)8-9-4-10-15-8/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid?
2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 131101568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).