2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide

C19H16FN5O2S — CID 135629927

IUPAC2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2S/c20-13-6-8-14(9-7-13)21-16(26)10-15-17(27)22-18-23-19(24-25(15)18)28-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,21,26)(H,22,23,24,27)
InChIKeyYTLAFMCNAQCFHV-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide

2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 135629927) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide
PubChem CID135629927
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2S/c20-13-6-8-14(9-7-13)21-16(26)10-15-17(27)22-18-23-19(24-25(15)18)28-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,21,26)(H,22,23,24,27)
InChIKeyYTLAFMCNAQCFHV-UHFFFAOYSA-N
XLogP3.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635975
2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
CID 135904118
(7S)-2-benzylsulfanyl-7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136762442
N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649956
N-(1,3-benzodioxol-5-yl)-2-[(6S)-2-methylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135924978
2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135902179
N-(4-fluorophenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902818
(7R)-2-benzylsulfanyl-5-oxo-N-pyridin-4-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135934192
(7R)-N-(4-acetamidophenyl)-2-benzylsulfanyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136836211
N-(4-fluorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646825
N-(3-chloro-4-fluorophenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902735
N-(4-acetylphenyl)-2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135925036

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide (CID 135629927) is 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide is O=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is YTLAFMCNAQCFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c20-13-6-8-14(9-7-13)21-16(26)10-15-17(27)22-18-23-19(24-25(15)18)28-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,21,26)(H,22,23,24,27).
What are the key properties of 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide?
2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135629927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).