2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol

C13H15NO2S — CID 39351949

IUPAC2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)sc2C)cc1
InChIInChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)7-8-15)10-3-5-11(16-2)6-4-10/h3-6,15H,7-8H2,1-2H3
InChIKeyVYSQKYLCFJZFEA-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol

2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (PubChem CID 39351949) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
PubChem CID39351949
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)sc2C)cc1
InChIInChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)7-8-15)10-3-5-11(16-2)6-4-10/h3-6,15H,7-8H2,1-2H3
InChIKeyVYSQKYLCFJZFEA-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867830
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543228
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
3-[2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 47061882
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol (CID 39351949) is 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is COc1ccc(-c2nc(CCO)sc2C)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
The InChIKey is VYSQKYLCFJZFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-13(14-12(17-9)7-8-15)10-3-5-11(16-2)6-4-10/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol?
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 39351949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).