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

C13H15NO2S — CID 94268207

IUPAC2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCOc1ccc(Cc2nc(CCO)cs2)cc1
InChIInChI=1S/C13H15NO2S/c1-16-12-4-2-10(3-5-12)8-13-14-11(6-7-15)9-17-13/h2-5,9,15H,6-8H2,1H3
InChIKeyCUOJPATVBSNMFP-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.28
Rot. Bonds5

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

2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 94268207) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID94268207
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCOc1ccc(Cc2nc(CCO)cs2)cc1
InChIInChI=1S/C13H15NO2S/c1-16-12-4-2-10(3-5-12)8-13-14-11(6-7-15)9-17-13/h2-5,9,15H,6-8H2,1H3
InChIKeyCUOJPATVBSNMFP-UHFFFAOYSA-N
XLogP2.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
2-[(3,4-dichlorophenyl)methyl]-4-[(4-methoxyphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083357
2-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]ethanethiol
CID 112753795
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485447
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039759

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol (CID 94268207) is 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol is COc1ccc(Cc2nc(CCO)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is CUOJPATVBSNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-16-12-4-2-10(3-5-12)8-13-14-11(6-7-15)9-17-13/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 94268207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).