2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole

C11H19NO2S — CID 107512034

IUPAC2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCCCC(OCC)c1nc(COC)cs1
InChIInChI=1S/C11H19NO2S/c1-4-6-10(14-5-2)11-12-9(7-13-3)8-15-11/h8,10H,4-7H2,1-3H3
InChIKeyQHPOHEQMIBCTHP-UHFFFAOYSA-N
MW229.34 g/mol
LogP3.17
Rot. Bonds7

About 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole

2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107512034) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107512034
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCCCC(OCC)c1nc(COC)cs1
InChIInChI=1S/C11H19NO2S/c1-4-6-10(14-5-2)11-12-9(7-13-3)8-15-11/h8,10H,4-7H2,1-3H3
InChIKeyQHPOHEQMIBCTHP-UHFFFAOYSA-N
XLogP3.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole 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-(1-methoxybutyl)-4-propyl-1,3-thiazole
CID 116734629
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 107507037
4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazole
CID 107511953
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
[2-(diethoxymethyl)-1,3-thiazol-4-yl]methanol
CID 66890594
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116727506
2-[2-(1-methoxybutyl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 116727740
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole (CID 107512034) is 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole is CCCC(OCC)c1nc(COC)cs1.
What is the InChIKey of 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is QHPOHEQMIBCTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-4-6-10(14-5-2)11-12-9(7-13-3)8-15-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole?
2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 229.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107512034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).