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

C9H13N3O3S — CID 65270356

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C9H13N3O3S/c1-2-7-10-9(16-11-7)12-3-4-15-6(5-12)8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBGVYRGOHZYPBLR-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.39
Rot. Bonds3

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

4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (PubChem CID 65270356) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
PubChem CID65270356
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C9H13N3O3S/c1-2-7-10-9(16-11-7)12-3-4-15-6(5-12)8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBGVYRGOHZYPBLR-UHFFFAOYSA-N
XLogP0.39
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (CID 65270356) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is CCc1nsc(N2CCOC(C(=O)O)C2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The InChIKey is BGVYRGOHZYPBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-7-10-9(16-11-7)12-3-4-15-6(5-12)8(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65270356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).