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

C15H19NO2S — CID 62799154

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2csc(C)n2)cc1
InChIInChI=1S/C15H19NO2S/c1-3-8-18-14-6-4-12(5-7-14)15(17)9-13-10-19-11(2)16-13/h4-7,10,15,17H,3,8-9H2,1-2H3
InChIKeySWWSAIAUCFAMHL-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.52
Rot. Bonds6

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

2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol (PubChem CID 62799154) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
PubChem CID62799154
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2csc(C)n2)cc1
InChIInChI=1S/C15H19NO2S/c1-3-8-18-14-6-4-12(5-7-14)15(17)9-13-10-19-11(2)16-13/h4-7,10,15,17H,3,8-9H2,1-2H3
InChIKeySWWSAIAUCFAMHL-UHFFFAOYSA-N
XLogP3.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103777249
2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
CID 65146016
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
1-(4-butoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108782
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol (CID 62799154) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)Cc2csc(C)n2)cc1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol?
The InChIKey is SWWSAIAUCFAMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-8-18-14-6-4-12(5-7-14)15(17)9-13-10-19-11(2)16-13/h4-7,10,15,17H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol has a molecular weight of 277.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 62799154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).