5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol

C11H19NO2S — CID 105117704

IUPAC5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nc(C)cs1
InChIInChI=1S/C11H19NO2S/c1-3-14-6-4-5-10(13)7-11-12-9(2)8-15-11/h8,10,13H,3-7H2,1-2H3
InChIKeyWSUFWDGSCAVKRU-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.17
Rot. Bonds7

About 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol

5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 105117704) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID105117704
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1nc(C)cs1
InChIInChI=1S/C11H19NO2S/c1-3-14-6-4-5-10(13)7-11-12-9(2)8-15-11/h8,10,13H,3-7H2,1-2H3
InChIKeyWSUFWDGSCAVKRU-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
5-ethoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105169241
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(3-ethoxypropyl)-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111225048
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
CID 105115643
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol (CID 105117704) is 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol is CCOCCCC(O)Cc1nc(C)cs1.
What is the InChIKey of 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is WSUFWDGSCAVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-14-6-4-5-10(13)7-11-12-9(2)8-15-11/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol?
5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 105117704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).