N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine

C10H10N2OS — CID 72746402

IUPACN-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc2c(C)nsc12
InChIInChI=1S/C10H10N2OS/c1-6(11-13)8-4-3-5-9-7(2)12-14-10(8)9/h3-5,13H,1-2H3
InChIKeyWYTJIJZIRYWBHE-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.80
Rot. Bonds1

About N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine

N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine (PubChem CID 72746402) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine
PubChem CID72746402
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc2c(C)nsc12
InChIInChI=1S/C10H10N2OS/c1-6(11-13)8-4-3-5-9-7(2)12-14-10(8)9/h3-5,13H,1-2H3
InChIKeyWYTJIJZIRYWBHE-UHFFFAOYSA-N
XLogP2.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.80
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-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine (CID 72746402) is N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine is CC(=NO)c1cccc2c(C)nsc12.
What is the InChIKey of N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine?
The InChIKey is WYTJIJZIRYWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6(11-13)8-4-3-5-9-7(2)12-14-10(8)9/h3-5,13H,1-2H3.
What are the key properties of N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine?
N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine has a molecular weight of 206.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2-benzothiazol-7-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 72746402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).