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

C14H16N4O2S — CID 945052

IUPAC1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C14H16N4O2S/c19-12(18-6-8-20-9-7-18)10-21-14-15-13(16-17-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16,17)
InChIKeyFZZFREABNHOLTO-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.42
Rot. Bonds4

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

1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 945052) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID945052
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C14H16N4O2S/c19-12(18-6-8-20-9-7-18)10-21-14-15-13(16-17-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16,17)
InChIKeyFZZFREABNHOLTO-UHFFFAOYSA-N
XLogP1.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2570546
N-Isopropyl-2-[4-(3-methoxy-propyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 644545
2-(4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclohexyl-acetamide
CID 647687
N-tert-Butyl-2-[4-(3-methoxy-propyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 656035
2-(4-amino-5-phenyl(1,2,4-triazol-3-ylthio))-N,N-diethylacetamide
CID 662947
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N,N-dipropylacetamide
CID 734979
2-[(4-Methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 844176
4-{[(5-benzyl-4-propyl-4H-1,2,4-triazol-3-yl)thio]acetyl}morpholine
CID 1315922
N-[4-(4-morpholinyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 2535610
2-[[5-(4-Chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2997827
2-[5-Benzyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(2-methyl-piperidin-1-yl)-ethanone
CID 3149068
2-[[4-(Oxolan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3180955

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 945052) is 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is O=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is FZZFREABNHOLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-12(18-6-8-20-9-7-18)10-21-14-15-13(16-17-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16,17).
What are the key properties of 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 304.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 945052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).