2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone

C8H12N4O2S — CID 2068158

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone
SMILESNc1nnc(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C8H12N4O2S/c9-8-11-10-6(15-8)5-7(13)12-1-3-14-4-2-12/h1-5H2,(H2,9,11)
InChIKeyIUQZOHQPMQLNNM-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.48
Rot. Bonds2

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone

2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone (PubChem CID 2068158) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone
PubChem CID2068158
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone
SMILESNc1nnc(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C8H12N4O2S/c9-8-11-10-6(15-8)5-7(13)12-1-3-14-4-2-12/h1-5H2,(H2,9,11)
InChIKeyIUQZOHQPMQLNNM-UHFFFAOYSA-N
XLogP-0.48
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone (CID 2068158) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone is Nc1nnc(CC(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is IUQZOHQPMQLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-8-11-10-6(15-8)5-7(13)12-1-3-14-4-2-12/h1-5H2,(H2,9,11).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone?
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 228.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 2068158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).