(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine

C8H6N2OS — CID 135703658

IUPAC(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
SMILESO/N=C\c1nc2ccccc2s1
InChIInChI=1S/C8H6N2OS/c11-9-5-8-10-6-3-1-2-4-7(6)12-8/h1-5,11H/b9-5-
InChIKeyUXIOLCCKLQHTMD-UITAMQMPSA-N
MW178.22 g/mol
LogP2.10
Rot. Bonds1

About (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine

(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine (PubChem CID 135703658) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
PubChem CID135703658
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
SMILESO/N=C\c1nc2ccccc2s1
InChIInChI=1S/C8H6N2OS/c11-9-5-8-10-6-3-1-2-4-7(6)12-8/h1-5,11H/b9-5-
InChIKeyUXIOLCCKLQHTMD-UITAMQMPSA-N
XLogP2.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
CID 102287449
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135602566
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
CID 142937013
(E)-3-(1,3-benzothiazol-2-yl)-2-phenylprop-2-enoic acid
CID 13082335
2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazole
CID 154089216
N-(1,3-benzothiazol-2-ylmethylideneamino)-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230876
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine (CID 135703658) is (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine is O/N=C\c1nc2ccccc2s1.
What is the InChIKey of (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine?
The InChIKey is UXIOLCCKLQHTMD-UITAMQMPSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-9-5-8-10-6-3-1-2-4-7(6)12-8/h1-5,11H/b9-5-.
What are the key properties of (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine?
(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine has a molecular weight of 178.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 135703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).