N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine

C8H8N2OS — CID 71945446

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine
SMILESCn1c(=NO)sc2ccccc21
InChIInChI=1S/C8H8N2OS/c1-10-6-4-2-3-5-7(6)12-8(10)9-11/h2-5,11H,1H3
InChIKeyIONNAMKZAMTVGD-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.53
Rot. Bonds

About N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine

N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine (PubChem CID 71945446) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine
PubChem CID71945446
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine
SMILESCn1c(=NO)sc2ccccc21
InChIInChI=1S/C8H8N2OS/c1-10-6-4-2-3-5-7(6)12-8(10)9-11/h2-5,11H,1H3
InChIKeyIONNAMKZAMTVGD-UHFFFAOYSA-N
XLogP1.53
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine (CID 71945446) is N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine is Cn1c(=NO)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine?
The InChIKey is IONNAMKZAMTVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-10-6-4-2-3-5-7(6)12-8(10)9-11/h2-5,11H,1H3.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine?
N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine has a molecular weight of 180.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)hydroxylamine is sourced from PubChem (CID 71945446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).