2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C12H19NO3S — CID 116705469

IUPAC2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCC(OCC)c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C12H19NO3S/c1-4-7-9(16-6-3)11-13-8(5-2)10(17-11)12(14)15/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyUBETYIMDELPRDM-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.28
Rot. Bonds7

About 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 116705469) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID116705469
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCC(OCC)c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C12H19NO3S/c1-4-7-9(16-6-3)11-13-8(5-2)10(17-11)12(14)15/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyUBETYIMDELPRDM-UHFFFAOYSA-N
XLogP3.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(1-ethoxybutyl)-1,3-thiazole-5-carboxylic acid
CID 114359489
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
2-[cyclopropyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360410
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 104838311
2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82154772
N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369122
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 116705469) is 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCCC(OCC)c1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UBETYIMDELPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-7-9(16-6-3)11-13-8(5-2)10(17-11)12(14)15/h9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 116705469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).