1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol

C12H21NO2S — CID 116728250

IUPAC1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol
SMILESCCOC(c1ncc(C(C)O)s1)C(C)(C)C
InChIInChI=1S/C12H21NO2S/c1-6-15-10(12(3,4)5)11-13-7-9(16-11)8(2)14/h7-8,10,14H,6H2,1-5H3
InChIKeyDJUQELCUVMQKFJ-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol

1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116728250) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116728250
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol
SMILESCCOC(c1ncc(C(C)O)s1)C(C)(C)C
InChIInChI=1S/C12H21NO2S/c1-6-15-10(12(3,4)5)11-13-7-9(16-11)8(2)14/h7-8,10,14H,6H2,1-5H3
InChIKeyDJUQELCUVMQKFJ-UHFFFAOYSA-N
XLogP3.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116728207
2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 116734663
1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 116727757
[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]methanol
CID 116734405
(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol
CID 134387990
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727560
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanol
CID 55112132
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116727826
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116730876
ethyl 5-acetyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 107376490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol (CID 116728250) is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol is CCOC(c1ncc(C(C)O)s1)C(C)(C)C.
What is the InChIKey of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is DJUQELCUVMQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-6-15-10(12(3,4)5)11-13-7-9(16-11)8(2)14/h7-8,10,14H,6H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 243.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116728250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).