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

C14H15N3O3S — CID 6623823

IUPAC2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone
SMILESO=C(COc1nsnc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c18-12(11-4-2-1-3-5-11)10-20-14-13(15-21-16-14)17-6-8-19-9-7-17/h1-5H,6-10H2
InChIKeyCGUVMGXTPFFVMT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.64
Rot. Bonds5

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

2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone (PubChem CID 6623823) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone
PubChem CID6623823
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone
SMILESO=C(COc1nsnc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H15N3O3S/c18-12(11-4-2-1-3-5-11)10-20-14-13(15-21-16-14)17-6-8-19-9-7-17/h1-5H,6-10H2
InChIKeyCGUVMGXTPFFVMT-UHFFFAOYSA-N
XLogP1.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
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]-1-phenylethanone?
The IUPAC name of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone (CID 6623823) is 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone.
What is the SMILES notation for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone?
The canonical SMILES for 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone is O=C(COc1nsnc1N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone?
The InChIKey is CGUVMGXTPFFVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12(11-4-2-1-3-5-11)10-20-14-13(15-21-16-14)17-6-8-19-9-7-17/h1-5H,6-10H2.
What are the key properties of 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone?
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethanone has a molecular weight of 305.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 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]-1-phenylethanone is sourced from PubChem (CID 6623823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).