4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid

C15H25NO2S — CID 82154814

IUPAC4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCc1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-3-5-6-7-8-9-10-11-13-16-12(4-2)14(19-13)15(17)18/h3-11H2,1-2H3,(H,17,18)
InChIKeyGRCOKMCQOJBDJN-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.70
Rot. Bonds10

About 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid

4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82154814) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
PubChem CID82154814
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCc1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-3-5-6-7-8-9-10-11-13-16-12(4-2)14(19-13)15(17)18/h3-11H2,1-2H3,(H,17,18)
InChIKeyGRCOKMCQOJBDJN-UHFFFAOYSA-N
XLogP4.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
4-hexyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885553
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 104838311
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
2-(azepan-1-ylmethyl)-4-butyl-1,3-thiazole-5-carboxylic acid
CID 82227287
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid (CID 82154814) is 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid is CCCCCCCCCc1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GRCOKMCQOJBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-5-6-7-8-9-10-11-13-16-12(4-2)14(19-13)15(17)18/h3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.44 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82154814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).