1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

C14H15N3O2S2 — CID 7119247

IUPAC1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)ns1)N1CCOCC1
InChIInChI=1S/C14H15N3O2S2/c18-12(17-6-8-19-9-7-17)10-20-14-15-13(16-21-14)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNOWSCIZWJBHFNW-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.16
Rot. Bonds4

About 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (PubChem CID 7119247) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
PubChem CID7119247
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc(-c2ccccc2)ns1)N1CCOCC1
InChIInChI=1S/C14H15N3O2S2/c18-12(17-6-8-19-9-7-17)10-20-14-15-13(16-21-14)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNOWSCIZWJBHFNW-UHFFFAOYSA-N
XLogP2.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (CID 7119247) is 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is O=C(CSc1nc(-c2ccccc2)ns1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The InChIKey is NOWSCIZWJBHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c18-12(17-6-8-19-9-7-17)10-20-14-15-13(16-21-14)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone has a molecular weight of 321.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is sourced from PubChem (CID 7119247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).