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

C12H21NO2S — CID 116775188

IUPAC1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCOC(C)(CC)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C12H21NO2S/c1-6-12(5,15-7-2)11-13-8(3)10(16-11)9(4)14/h9,14H,6-7H2,1-5H3
InChIKeyOWCQOAKJXKJGBW-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.17
Rot. Bonds5

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

1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 116775188) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID116775188
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCOC(C)(CC)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C12H21NO2S/c1-6-12(5,15-7-2)11-13-8(3)10(16-11)9(4)14/h9,14H,6-7H2,1-5H3
InChIKeyOWCQOAKJXKJGBW-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 116775188) is 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is CCOC(C)(CC)c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is OWCQOAKJXKJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-6-12(5,15-7-2)11-13-8(3)10(16-11)9(4)14/h9,14H,6-7H2,1-5H3.
What are the key properties of 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 243.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116775188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).