2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid

C8H11N3O4S — CID 655998

IUPAC2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyZWMFBTMNSSMSGD-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid

2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid (PubChem CID 655998) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid
PubChem CID655998
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyZWMFBTMNSSMSGD-UHFFFAOYSA-N
XLogP-0.16
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid (CID 655998) is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid is O=C(O)COc1nsnc1N1CCOCC1.
What is the InChIKey of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid?
The InChIKey is ZWMFBTMNSSMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c12-6(13)5-15-8-7(9-16-10-8)11-1-3-14-4-2-11/h1-5H2,(H,12,13).
What are the key properties of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid?
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetic acid is sourced from PubChem (CID 655998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).