O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine

C14H18N2O2S — CID 39377445

IUPACO-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESCc1ccc(C)c(OCc2nc(CON)cs2)c1C
InChIInChI=1S/C14H18N2O2S/c1-9-4-5-10(2)14(11(9)3)17-7-13-16-12(6-18-15)8-19-13/h4-5,8H,6-7,15H2,1-3H3
InChIKeyJBFLSYMTOAPOIY-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.04
Rot. Bonds5

About O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine

O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (PubChem CID 39377445) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
PubChem CID39377445
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameO-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESCc1ccc(C)c(OCc2nc(CON)cs2)c1C
InChIInChI=1S/C14H18N2O2S/c1-9-4-5-10(2)14(11(9)3)17-7-13-16-12(6-18-15)8-19-13/h4-5,8H,6-7,15H2,1-3H3
InChIKeyJBFLSYMTOAPOIY-UHFFFAOYSA-N
XLogP3.04
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.04
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
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82302885
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139266
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
O-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39395792
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine
CID 7139234
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103433481

Frequently Asked Questions

What is the IUPAC name of O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (CID 39377445) is O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is Cc1ccc(C)c(OCc2nc(CON)cs2)c1C.
What is the InChIKey of O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The InChIKey is JBFLSYMTOAPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-4-5-10(2)14(11(9)3)17-7-13-16-12(6-18-15)8-19-13/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine has a molecular weight of 278.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 39377445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).