O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine

C12H14N2OS — CID 82044166

IUPACO-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
SMILESCc1ccc(-c2nc(CON)sc2C)cc1
InChIInChI=1S/C12H14N2OS/c1-8-3-5-10(6-4-8)12-9(2)16-11(14-12)7-15-13/h3-6H,7,13H2,1-2H3
InChIKeyIBLXOZWRWALANP-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.82
Rot. Bonds3

About O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine

O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine (PubChem CID 82044166) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
PubChem CID82044166
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameO-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
SMILESCc1ccc(-c2nc(CON)sc2C)cc1
InChIInChI=1S/C12H14N2OS/c1-8-3-5-10(6-4-8)12-9(2)16-11(14-12)7-15-13/h3-6H,7,13H2,1-2H3
InChIKeyIBLXOZWRWALANP-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.82
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

O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 39377180
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
(5-methyl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106270
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
CID 82102862
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174038
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868765
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522

Frequently Asked Questions

What is the IUPAC name of O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine?
The IUPAC name of O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine (CID 82044166) is O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine is Cc1ccc(-c2nc(CON)sc2C)cc1.
What is the InChIKey of O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine?
The InChIKey is IBLXOZWRWALANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-3-5-10(6-4-8)12-9(2)16-11(14-12)7-15-13/h3-6H,7,13H2,1-2H3.
What are the key properties of O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine?
O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine has a molecular weight of 234.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 82044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).