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

C8H11N3O3S — CID 65267543

IUPAC4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C8H11N3O3S/c1-5-9-8(15-10-5)11-2-3-14-6(4-11)7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyHLOVWWFVJSSOBU-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.14
Rot. Bonds2

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

4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (PubChem CID 65267543) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
PubChem CID65267543
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C8H11N3O3S/c1-5-9-8(15-10-5)11-2-3-14-6(4-11)7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyHLOVWWFVJSSOBU-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (CID 65267543) is 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is Cc1nsc(N2CCOC(C(=O)O)C2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The InChIKey is HLOVWWFVJSSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-9-8(15-10-5)11-2-3-14-6(4-11)7(12)13/h6H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65267543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).