N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine

C15H10N3O2S- — CID 163145309

IUPACN-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine
SMILES[O-]N(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H10N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h1-9,19H/q-1
InChIKeyBMZMDUPMJXWQNK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.91
Rot. Bonds2

About N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine

N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine (PubChem CID 163145309) has the molecular formula C15H10N3O2S- and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine
PubChem CID163145309
Molecular FormulaC15H10N3O2S-
Molecular Weight296.33 g/mol
Exact Mass296.05
IUPAC NameN-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine
SMILES[O-]N(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H10N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h1-9,19H/q-1
InChIKeyBMZMDUPMJXWQNK-UHFFFAOYSA-N
XLogP3.91
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 667714
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide
CID 11509559
2-hydroxy-5-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzamide
CID 149083158
4-(6-(123I)iodoimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethyl(123I)aniline
CID 24756735
N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
CID 66795428
3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylanilino)-3-oxopropanoic acid
CID 139878182
2-imidazo[2,1-b][1,3]benzothiazol-2-yl-4,4-dimethyl-5H-1,3-oxazole
CID 14067638
2-[2-[[2-(3,5-dimethylphenyl)acetyl]amino]phenyl]-N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)acetamide
CID 51038971
2-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 139808437
(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)sulfonylacetate
CID 13206732
7-amino-2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 139808441
2-(2-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209602

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine (CID 163145309) is N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine is [O-]N(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine?
The InChIKey is BMZMDUPMJXWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h1-9,19H/q-1.
What are the key properties of N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine?
N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine has a molecular weight of 296.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine is sourced from PubChem (CID 163145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).