O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine

C13H16N2OS — CID 39351081

IUPACO-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
SMILESCc1ccc(C)c(-c2csc(CCON)n2)c1
InChIInChI=1S/C13H16N2OS/c1-9-3-4-10(2)11(7-9)12-8-17-13(15-12)5-6-16-14/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyMVWXSYVXRUPKDT-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.86
Rot. Bonds4

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

O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine (PubChem CID 39351081) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
PubChem CID39351081
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameO-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
SMILESCc1ccc(C)c(-c2csc(CCON)n2)c1
InChIInChI=1S/C13H16N2OS/c1-9-3-4-10(2)11(7-9)12-8-17-13(15-12)5-6-16-14/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyMVWXSYVXRUPKDT-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.86
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

2-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3289571
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3450759
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
CID 86845405

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine (CID 39351081) is O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine is Cc1ccc(C)c(-c2csc(CCON)n2)c1.
What is the InChIKey of O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The InChIKey is MVWXSYVXRUPKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-3-4-10(2)11(7-9)12-8-17-13(15-12)5-6-16-14/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine has a molecular weight of 248.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine is sourced from PubChem (CID 39351081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).