O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine

C15H18N2O2S — CID 39395792

IUPACO-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESNOCc1csc(COc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H18N2O2S/c16-19-8-12-10-20-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10H,1-2,4,6,8-9,16H2
InChIKeyJOBBKTZAYSWGCS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds5

About O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine

O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine (PubChem CID 39395792) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine
PubChem CID39395792
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameO-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESNOCc1csc(COc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H18N2O2S/c16-19-8-12-10-20-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10H,1-2,4,6,8-9,16H2
InChIKeyJOBBKTZAYSWGCS-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39377445
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63090516
2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
CID 20983524
2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426

Frequently Asked Questions

What is the IUPAC name of O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine (CID 39395792) is O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine is NOCc1csc(COc2cccc3c2CCCC3)n1.
What is the InChIKey of O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine?
The InChIKey is JOBBKTZAYSWGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-19-8-12-10-20-15(17-12)9-18-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10H,1-2,4,6,8-9,16H2.
What are the key properties of O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine?
O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine has a molecular weight of 290.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 39395792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).