(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine

C11H7N3O2S — CID 166631237

IUPAC(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1cnco1)c1nc2ccccc2s1
InChIInChI=1S/C11H7N3O2S/c15-14-10(8-5-12-6-16-8)11-13-7-3-1-2-4-9(7)17-11/h1-6,15H/b14-10+
InChIKeyYIUDJVDDSSPAFF-GXDHUFHOSA-N
MW245.26 g/mol
LogP2.51
Rot. Bonds2

About (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine

(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine (PubChem CID 166631237) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine
PubChem CID166631237
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1cnco1)c1nc2ccccc2s1
InChIInChI=1S/C11H7N3O2S/c15-14-10(8-5-12-6-16-8)11-13-7-3-1-2-4-9(7)17-11/h1-6,15H/b14-10+
InChIKeyYIUDJVDDSSPAFF-GXDHUFHOSA-N
XLogP2.51
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine (CID 166631237) is (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine is O/N=C(\c1cnco1)c1nc2ccccc2s1.
What is the InChIKey of (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine?
The InChIKey is YIUDJVDDSSPAFF-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-14-10(8-5-12-6-16-8)11-13-7-3-1-2-4-9(7)17-11/h1-6,15H/b14-10+.
What are the key properties of (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine has a molecular weight of 245.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 166631237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).