N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine

C8H6N2OS — CID 131845316

IUPACN-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
SMILESON=Cc1ccc2sncc2c1
InChIInChI=1S/C8H6N2OS/c11-9-4-6-1-2-8-7(3-6)5-10-12-8/h1-5,11H
InChIKeyGHBHHJWOCCUZGW-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.10
Rot. Bonds1

About N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine

N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine (PubChem CID 131845316) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
PubChem CID131845316
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC NameN-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
SMILESON=Cc1ccc2sncc2c1
InChIInChI=1S/C8H6N2OS/c11-9-4-6-1-2-8-7(3-6)5-10-12-8/h1-5,11H
InChIKeyGHBHHJWOCCUZGW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine?
The IUPAC name of N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine (CID 131845316) is N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine is ON=Cc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine?
The InChIKey is GHBHHJWOCCUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-9-4-6-1-2-8-7(3-6)5-10-12-8/h1-5,11H.
What are the key properties of N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine?
N-(1,2-benzothiazol-5-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 N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine is sourced from PubChem (CID 131845316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).