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

C10H15NO3S — CID 104838311

IUPAC4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOCc1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C10H15NO3S/c1-3-5-14-6-8-11-7(4-2)9(15-8)10(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyHLGSCERIADSIIC-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.33
Rot. Bonds6

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

4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 104838311) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID104838311
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOCc1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C10H15NO3S/c1-3-5-14-6-8-11-7(4-2)9(15-8)10(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyHLGSCERIADSIIC-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.33
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

4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838357
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
2-[(4-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459181
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 104838311) is 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid is CCCOCc1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HLGSCERIADSIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-5-14-6-8-11-7(4-2)9(15-8)10(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104838311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).