1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol

C9H15NO2S — CID 64544933

IUPAC1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
SMILESCCOC(C)c1nc(C(C)O)cs1
InChIInChI=1S/C9H15NO2S/c1-4-12-7(3)9-10-8(5-13-9)6(2)11/h5-7,11H,4H2,1-3H3
InChIKeyBDBPIJKRXPJWNH-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol

1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 64544933) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID64544933
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
SMILESCCOC(C)c1nc(C(C)O)cs1
InChIInChI=1S/C9H15NO2S/c1-4-12-7(3)9-10-8(5-13-9)6(2)11/h5-7,11H,4H2,1-3H3
InChIKeyBDBPIJKRXPJWNH-UHFFFAOYSA-N
XLogP2.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol (CID 64544933) is 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol is CCOC(C)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is BDBPIJKRXPJWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-12-7(3)9-10-8(5-13-9)6(2)11/h5-7,11H,4H2,1-3H3.
What are the key properties of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 201.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).