N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine

C23H23ClN6OS — CID 177349019

IUPACN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine
SMILESNS.Nc1ncc(-c2ccc(CNC(=O)Cc3ccc(-c4ccc(Cl)cc4)nc3)cc2)[nH]1
InChIInChI=1S/C23H20ClN5O.H3NS/c24-19-8-6-17(7-9-19)20-10-3-16(13-26-20)11-22(30)27-12-15-1-4-18(5-2-15)21-14-28-23(25)29-21;1-2/h1-10,13-14H,11-12H2,(H,27,30)(H3,25,28,29);2H,1H2
InChIKeyMUAMZCDQSWFYJL-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.02
Rot. Bonds6

About N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine (PubChem CID 177349019) has the molecular formula C23H23ClN6OS and a molecular weight of 467.00 g/mol. Its IUPAC name is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine.

Molecular Properties

Compound NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine
PubChem CID177349019
Molecular FormulaC23H23ClN6OS
Molecular Weight467.00 g/mol
Exact Mass466.13
IUPAC NameN-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine
SMILESNS.Nc1ncc(-c2ccc(CNC(=O)Cc3ccc(-c4ccc(Cl)cc4)nc3)cc2)[nH]1
InChIInChI=1S/C23H20ClN5O.H3NS/c24-19-8-6-17(7-9-19)20-10-3-16(13-26-20)11-22(30)27-12-15-1-4-18(5-2-15)21-14-28-23(25)29-21;1-2/h1-10,13-14H,11-12H2,(H,27,30)(H3,25,28,29);2H,1H2
InChIKeyMUAMZCDQSWFYJL-UHFFFAOYSA-N
XLogP4.02
TPSA122.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(4-ethylphenyl)phenyl]acetamide
CID 177349338
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(3,5-dimethylphenyl)phenyl]acetamide;thiohydroxylamine
CID 177349139
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(oxan-4-yl)phenyl]acetamide;thiohydroxylamine
CID 177349308
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(piperidin-4-ylsulfonylamino)-3-pyridinyl]acetamide
CID 177349144
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-(3-phenyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 177349013
2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
CID 158314865
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine?
The IUPAC name of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine (CID 177349019) is N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine.
What is the SMILES notation for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine?
The canonical SMILES for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine is NS.Nc1ncc(-c2ccc(CNC(=O)Cc3ccc(-c4ccc(Cl)cc4)nc3)cc2)[nH]1.
What is the InChIKey of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine?
The InChIKey is MUAMZCDQSWFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O.H3NS/c24-19-8-6-17(7-9-19)20-10-3-16(13-26-20)11-22(30)27-12-15-1-4-18(5-2-15)21-14-28-23(25)29-21;1-2/h1-10,13-14H,11-12H2,(H,27,30)(H3,25,28,29);2H,1H2.
What are the key properties of N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine?
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine has a molecular weight of 467.00 g/mol, XLogP of 4.02, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine is sourced from PubChem (CID 177349019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).