O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine

C11H12N2OS — CID 165437924

IUPACO-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine
SMILESNOCC1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C11H12N2OS/c12-14-7-11(5-6-11)10-13-8-3-1-2-4-9(8)15-10/h1-4H,5-7,12H2
InChIKeyOEBDNUUFAXQPGS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.22
Rot. Bonds3

About O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine

O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine (PubChem CID 165437924) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine
PubChem CID165437924
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameO-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine
SMILESNOCC1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C11H12N2OS/c12-14-7-11(5-6-11)10-13-8-3-1-2-4-9(8)15-10/h1-4H,5-7,12H2
InChIKeyOEBDNUUFAXQPGS-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxylate
CID 79480839
3-(1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 134128343
2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
CID 166636791
methyl 4-(1,3-benzothiazol-2-yl)bicyclo[2.2.2]octane-1-carboxylate
CID 154684150
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
[1-[2-(1,3-benzothiazol-2-yl)phenyl]cyclopropyl]methanamine
CID 117450469
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
[1-(6-bromo-1,3-benzothiazol-2-yl)cyclopropyl]methanamine
CID 115450810
1-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115452760
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610095
2-ethyl-1,3-benzothiazole
CID 123878265

Frequently Asked Questions

What is the IUPAC name of O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine?
The IUPAC name of O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine (CID 165437924) is O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine is NOCC1(c2nc3ccccc3s2)CC1.
What is the InChIKey of O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine?
The InChIKey is OEBDNUUFAXQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-14-7-11(5-6-11)10-13-8-3-1-2-4-9(8)15-10/h1-4H,5-7,12H2.
What are the key properties of O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine?
O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine has a molecular weight of 220.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine is sourced from PubChem (CID 165437924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).