N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine

C10H10N2OS — CID 142937013

IUPACN-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
SMILESONC/C=C/c1nc2ccccc2s1
InChIInChI=1S/C10H10N2OS/c13-11-7-3-6-10-12-8-4-1-2-5-9(8)14-10/h1-6,11,13H,7H2/b6-3+
InChIKeyNEOVQLYNIOZACD-ZZXKWVIFSA-N
MW206.27 g/mol
LogP2.29
Rot. Bonds3

About N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine

N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine (PubChem CID 142937013) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
PubChem CID142937013
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
SMILESONC/C=C/c1nc2ccccc2s1
InChIInChI=1S/C10H10N2OS/c13-11-7-3-6-10-12-8-4-1-2-5-9(8)14-10/h1-6,11,13H,7H2/b6-3+
InChIKeyNEOVQLYNIOZACD-ZZXKWVIFSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]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

2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
(E)-7-(1,3-benzothiazol-2-yl)-2,2-dimethylhept-6-en-3-one
CID 129059805
(1E,5Z)-1-(1,3-benzothiazol-2-yl)-4-methylhepta-1,5-dien-4-ol
CID 143177403
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-propylanilino]ethanol
CID 121278374
(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
4-[4-(1,3-benzothiazol-2-yl)buta-1,3-dienyl]-N-methylaniline
CID 73097732
2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazole
CID 154089216
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine?
The IUPAC name of N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine (CID 142937013) is N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine.
What is the SMILES notation for N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine?
The canonical SMILES for N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine is ONC/C=C/c1nc2ccccc2s1.
What is the InChIKey of N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine?
The InChIKey is NEOVQLYNIOZACD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-11-7-3-6-10-12-8-4-1-2-5-9(8)14-10/h1-6,11,13H,7H2/b6-3+.
What are the key properties of N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine?
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine has a molecular weight of 206.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine is sourced from PubChem (CID 142937013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).