2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

C13H16N2O2S — CID 104771159

IUPAC2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCOc1ccc(NC(CO)c2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(14-9)12(7-16)15-10-3-5-11(17-2)6-4-10/h3-6,8,12,15-16H,7H2,1-2H3
InChIKeyAADORWZCIHWTHR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol

2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 104771159) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID104771159
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCOc1ccc(NC(CO)c2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(14-9)12(7-16)15-10-3-5-11(17-2)6-4-10/h3-6,8,12,15-16H,7H2,1-2H3
InChIKeyAADORWZCIHWTHR-UHFFFAOYSA-N
XLogP2.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032607
2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole
CID 119084444
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 113451359
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
2-(4-cyclopropylphenyl)-2-(4-methoxyanilino)ethanol
CID 79973388
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
3-(4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 47179992

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 104771159) is 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is COc1ccc(NC(CO)c2nc(C)cs2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is AADORWZCIHWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-8-18-13(14-9)12(7-16)15-10-3-5-11(17-2)6-4-10/h3-6,8,12,15-16H,7H2,1-2H3.
What are the key properties of 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 264.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 104771159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).