[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol

C13H15NO2S — CID 116867366

IUPAC[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCCOc1ccc(-c2nc(CO)sc2C)cc1
InChIInChI=1S/C13H15NO2S/c1-3-16-11-6-4-10(5-7-11)13-9(2)17-12(8-15)14-13/h4-7,15H,3,8H2,1-2H3
InChIKeyPOILPKBSTDYVFA-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.01
Rot. Bonds4

About [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol

[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol (PubChem CID 116867366) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
PubChem CID116867366
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCCOc1ccc(-c2nc(CO)sc2C)cc1
InChIInChI=1S/C13H15NO2S/c1-3-16-11-6-4-10(5-7-11)13-9(2)17-12(8-15)14-13/h4-7,15H,3,8H2,1-2H3
InChIKeyPOILPKBSTDYVFA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
[4-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanol
CID 131866767
[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867390
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol (CID 116867366) is [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol is CCOc1ccc(-c2nc(CO)sc2C)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The InChIKey is POILPKBSTDYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-16-11-6-4-10(5-7-11)13-9(2)17-12(8-15)14-13/h4-7,15H,3,8H2,1-2H3.
What are the key properties of [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 116867366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).