[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol

C11H19NO2S — CID 116782415

IUPAC[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
SMILESCCOC(CC)(CC)c1nc(CO)cs1
InChIInChI=1S/C11H19NO2S/c1-4-11(5-2,14-6-3)10-12-9(7-13)8-15-10/h8,13H,4-7H2,1-3H3
InChIKeyVOAPJUFTERYDGO-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.69
Rot. Bonds6

About [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol

[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 116782415) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
PubChem CID116782415
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
SMILESCCOC(CC)(CC)c1nc(CO)cs1
InChIInChI=1S/C11H19NO2S/c1-4-11(5-2,14-6-3)10-12-9(7-13)8-15-10/h8,13H,4-7H2,1-3H3
InChIKeyVOAPJUFTERYDGO-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 102929510
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
[2-(1-amino-2-methylpropan-2-yl)-1,3-thiazol-4-yl]methanol
CID 82504324
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol
CID 54209966
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
CID 66890594
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol (CID 116782415) is [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol is CCOC(CC)(CC)c1nc(CO)cs1.
What is the InChIKey of [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is VOAPJUFTERYDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-4-11(5-2,14-6-3)10-12-9(7-13)8-15-10/h8,13H,4-7H2,1-3H3.
What are the key properties of [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol?
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 229.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 116782415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).