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

C13H23NO2S — CID 116728207

IUPAC1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCOC(c1nc(C)c(C(C)O)s1)C(C)(C)C
InChIInChI=1S/C13H23NO2S/c1-7-16-11(13(4,5)6)12-14-8(2)10(17-12)9(3)15/h9,11,15H,7H2,1-6H3
InChIKeyLYLILFQLGHBCBQ-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.63
Rot. Bonds4

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

1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 116728207) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID116728207
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCOC(c1nc(C)c(C(C)O)s1)C(C)(C)C
InChIInChI=1S/C13H23NO2S/c1-7-16-11(13(4,5)6)12-14-8(2)10(17-12)9(3)15/h9,11,15H,7H2,1-6H3
InChIKeyLYLILFQLGHBCBQ-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 116728207) is 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol is CCOC(c1nc(C)c(C(C)O)s1)C(C)(C)C.
What is the InChIKey of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is LYLILFQLGHBCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-7-16-11(13(4,5)6)12-14-8(2)10(17-12)9(3)15/h9,11,15H,7H2,1-6H3.
What are the key properties of 1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 257.40 g/mol, XLogP of 3.63, 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)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116728207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).