2-undecyl-1,3-thiazole-5-carboxylic acid

C15H25NO2S — CID 21415073

IUPAC2-undecyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCCCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(19-14)15(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyXTXKBQOOURGYTO-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.91
Rot. Bonds11

About 2-undecyl-1,3-thiazole-5-carboxylic acid

2-undecyl-1,3-thiazole-5-carboxylic acid (PubChem CID 21415073) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-undecyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-undecyl-1,3-thiazole-5-carboxylic acid
PubChem CID21415073
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-undecyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCCCCCCCCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(19-14)15(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyXTXKBQOOURGYTO-UHFFFAOYSA-N
XLogP4.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of 2-undecyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-undecyl-1,3-thiazole-5-carboxylic acid (CID 21415073) is 2-undecyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-undecyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-undecyl-1,3-thiazole-5-carboxylic acid is CCCCCCCCCCCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-undecyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XTXKBQOOURGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(19-14)15(17)18/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-undecyl-1,3-thiazole-5-carboxylic acid?
2-undecyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.44 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 21415073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).