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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Related Compounds

Ethyl 2-(2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 5183345
Ethyl 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetate
CID 7119313
Ethyl 2-[[2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]acetate
CID 7119349
Ethyl 2-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 7119291
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 844176
Ethyl 4-(2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate
CID 3239257
1-(Pyrrolidin-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 3242714
2-[(3-Phenyl-1,2,4-oxadiazol-5-YL)sulfanyl]-1-(piperidin-1-YL)ethan-1-one
CID 15987644
N-[(oxolan-2-yl)methyl]-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 18554663
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 16188367
2-(4-Benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 653264
2-[[3-(m-Tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1-piperidyl)ethanone
CID 4141813

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).