4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine

C19H20FN5OS — CID 46691876

IUPAC4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
SMILESFc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCOCC2)c1
InChIInChI=1S/C19H20FN5OS/c20-15-4-3-6-17(14-15)25-18(24-9-11-26-12-10-24)22-23-19(25)27-13-7-16-5-1-2-8-21-16/h1-6,8,14H,7,9-13H2
InChIKeyCCPJJTAAFZCGRD-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.97
Rot. Bonds6

About 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine

4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 46691876) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID46691876
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
SMILESFc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCOCC2)c1
InChIInChI=1S/C19H20FN5OS/c20-15-4-3-6-17(14-15)25-18(24-9-11-26-12-10-24)22-23-19(25)27-13-7-16-5-1-2-8-21-16/h1-6,8,14H,7,9-13H2
InChIKeyCCPJJTAAFZCGRD-UHFFFAOYSA-N
XLogP2.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

4-({[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)morpholine
CID 1071783
2-[(4-Benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1456024
2-{4-phenyl-5-[(tetrahydro-2H-pyran-2-ylmethyl)thio]-4H-1,2,4-triazol-3-yl}pyrazine
CID 2963610
1-(2,6-Dimethylmorpholin-4-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2999718
2-[[4-(4-Fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 5308822
2-[[4-(3-Fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 16327329
2-morpholin-4-yl-2-oxoethyl 4-pyridin-3-yl-4H-1,2,4-triazol-3-yl sulfide
CID 864419
4-[2-[2-(Pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]ethyl]morpholine
CID 13852924
4-[2-[2-(Pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]ethyl]morpholine
CID 13852943
4-[[2-(Pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine
CID 14894180
4-Oxido-4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholin-4-ium
CID 14894183
4-[5-(Imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholine
CID 53604463

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine (CID 46691876) is 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine is Fc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCOCC2)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is CCPJJTAAFZCGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-4-3-6-17(14-15)25-18(24-9-11-26-12-10-24)22-23-19(25)27-13-7-16-5-1-2-8-21-16/h1-6,8,14H,7,9-13H2.
What are the key properties of 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 385.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 46691876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).