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

C10H17NO2S — CID 116775255

IUPAC1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCCC(C)(OC)c1nc(C(C)O)cs1
InChIInChI=1S/C10H17NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6-7,12H,5H2,1-4H3
InChIKeyLBGXDYDSCIBFFY-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.47
Rot. Bonds4

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

1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 116775255) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID116775255
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCCC(C)(OC)c1nc(C(C)O)cs1
InChIInChI=1S/C10H17NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6-7,12H,5H2,1-4H3
InChIKeyLBGXDYDSCIBFFY-UHFFFAOYSA-N
XLogP2.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-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-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol (CID 116775255) is 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol is CCC(C)(OC)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is LBGXDYDSCIBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-5-10(3,13-4)9-11-8(6-14-9)7(2)12/h6-7,12H,5H2,1-4H3.
What are the key properties of 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 215.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).