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'}

Analyze N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
CID 119083203
(NE)-N-[(2-fluoro-1-benzothiophen-6-yl)methylidene]hydroxylamine
CID 118056514
5-(chloromethyl)-1,2-benzothiazole
CID 121231926
N-[(6-iodo-3-pyridinyl)methylidene]hydroxylamine
CID 131847169
(E)-N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide
CID 129401437
N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine
CID 118049849
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826188
1,2-benzothiazol-6-ol
CID 135742002
(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine
CID 170578075
(NZ)-N-[(6-chloro-3-pyridinyl)methylidene]hydroxylamine
CID 55279774
N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
CID 86694674
N-[[4-[2,4,5-tris[4-(hydroxyiminomethyl)phenyl]phenyl]phenyl]methylidene]hydroxylamine
CID 135496903

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).