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

C13H16N2O2S — CID 39363958

IUPACO-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESCc1cccc(C)c1OCc1nc(CON)cs1
InChIInChI=1S/C13H16N2O2S/c1-9-4-3-5-10(2)13(9)16-7-12-15-11(6-17-14)8-18-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMZYQRDGNSKZNTR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.73
Rot. Bonds5

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

O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (PubChem CID 39363958) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
PubChem CID39363958
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameO-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESCc1cccc(C)c1OCc1nc(CON)cs1
InChIInChI=1S/C13H16N2O2S/c1-9-4-3-5-10(2)13(9)16-7-12-15-11(6-17-14)8-18-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMZYQRDGNSKZNTR-UHFFFAOYSA-N
XLogP2.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.73
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-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39377445
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
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378
[2-[3-(2,6-dimethylphenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154469
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309

Frequently Asked Questions

What is the IUPAC name of O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (CID 39363958) is O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is Cc1cccc(C)c1OCc1nc(CON)cs1.
What is the InChIKey of O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The InChIKey is MZYQRDGNSKZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-4-3-5-10(2)13(9)16-7-12-15-11(6-17-14)8-18-12/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine has a molecular weight of 264.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 39363958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).