N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine

C18H18N2O3S — CID 10497495

IUPACN-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
SMILESCOc1ccc(-c2nc(COc3cccc(CNO)c3)cs2)cc1
InChIInChI=1S/C18H18N2O3S/c1-22-16-7-5-14(6-8-16)18-20-15(12-24-18)11-23-17-4-2-3-13(9-17)10-19-21/h2-9,12,19,21H,10-11H2,1H3
InChIKeySGEMLJSIBNCSIF-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds7

About N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine

N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine (PubChem CID 10497495) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
PubChem CID10497495
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
SMILESCOc1ccc(-c2nc(COc3cccc(CNO)c3)cs2)cc1
InChIInChI=1S/C18H18N2O3S/c1-22-16-7-5-14(6-8-16)18-20-15(12-24-18)11-23-17-4-2-3-13(9-17)10-19-21/h2-9,12,19,21H,10-11H2,1H3
InChIKeySGEMLJSIBNCSIF-UHFFFAOYSA-N
XLogP3.88
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 10051418
4-[(3-methoxyphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 175901797
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460324
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629
2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 166189607

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine (CID 10497495) is N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine is COc1ccc(-c2nc(COc3cccc(CNO)c3)cs2)cc1.
What is the InChIKey of N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine?
The InChIKey is SGEMLJSIBNCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-22-16-7-5-14(6-8-16)18-20-15(12-24-18)11-23-17-4-2-3-13(9-17)10-19-21/h2-9,12,19,21H,10-11H2,1H3.
What are the key properties of N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine?
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 342.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10497495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).