1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C16H19ClN4O2S — CID 45185358

IUPAC1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1cnnc1SCC(=O)N1CCOC(Cc2ccccc2Cl)C1
InChIInChI=1S/C16H19ClN4O2S/c1-20-11-18-19-16(20)24-10-15(22)21-6-7-23-13(9-21)8-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3
InChIKeyFVHGXXKSWHYJJI-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 45185358) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID45185358
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1cnnc1SCC(=O)N1CCOC(Cc2ccccc2Cl)C1
InChIInChI=1S/C16H19ClN4O2S/c1-20-11-18-19-16(20)24-10-15(22)21-6-7-23-13(9-21)8-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3
InChIKeyFVHGXXKSWHYJJI-UHFFFAOYSA-N
XLogP2.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 25395374
3-[2-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45228933
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2962917
1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 56874173
1-(2-ethylmorpholin-4-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 47079861
methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate
CID 26327707
[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 125166955
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 95552061
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 133132637
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 45185358) is 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cn1cnnc1SCC(=O)N1CCOC(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is FVHGXXKSWHYJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-20-11-18-19-16(20)24-10-15(22)21-6-7-23-13(9-21)8-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 366.87 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 45185358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).