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

C19H15Cl2N5O2S — CID 135904118

IUPAC2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N5O2S/c20-12-6-7-14(13(21)8-12)22-16(27)9-15-17(28)23-18-24-19(25-26(15)18)29-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,27)(H,23,24,25,28)/t15-/m0/s1
InChIKeyLQJVPJGAGWXOPY-HNNXBMFYSA-N
MW448.34 g/mol
LogP4.40
Rot. Bonds6

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

2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 135904118) has the molecular formula C19H15Cl2N5O2S and a molecular weight of 448.34 g/mol. Its IUPAC name is 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID135904118
Molecular FormulaC19H15Cl2N5O2S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N5O2S/c20-12-6-7-14(13(21)8-12)22-16(27)9-15-17(28)23-18-24-19(25-26(15)18)29-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,27)(H,23,24,25,28)/t15-/m0/s1
InChIKeyLQJVPJGAGWXOPY-HNNXBMFYSA-N
XLogP4.40
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)-N-(4-fluorophenyl)acetamide
CID 135629927
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
N-(2,5-dichlorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650006
(7R)-2-benzylsulfanyl-N-(5-chloro-2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136718216
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-(2,5-dichlorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646857
2-benzylsulfanyl-7-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135876698
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650076
2-benzylsulfanyl-9-(2,4-dichlorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 3450578
2-[(6S)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dichlorophenyl)acetamide
CID 135902225
2-benzylsulfanyl-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3503944

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 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) is 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide is O=C(C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is LQJVPJGAGWXOPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2S/c20-12-6-7-14(13(21)8-12)22-16(27)9-15-17(28)23-18-24-19(25-26(15)18)29-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,22,27)(H,23,24,25,28)/t15-/m0/s1.
What are the key properties of 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide?
2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 448.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 135904118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).