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

C11H12N2O2S2 — CID 86035535

IUPAC4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1csc(-c2nc(CC)c(C(=O)O)s2)n1
InChIInChI=1S/C11H12N2O2S2/c1-3-6-5-16-9(12-6)10-13-7(4-2)8(17-10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyXZANYFZEVRRBPF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds4

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

4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 86035535) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID86035535
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1csc(-c2nc(CC)c(C(=O)O)s2)n1
InChIInChI=1S/C11H12N2O2S2/c1-3-6-5-16-9(12-6)10-13-7(4-2)8(17-10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyXZANYFZEVRRBPF-UHFFFAOYSA-N
XLogP3.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid (CID 86035535) is 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid is CCc1csc(-c2nc(CC)c(C(=O)O)s2)n1.
What is the InChIKey of 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XZANYFZEVRRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-3-6-5-16-9(12-6)10-13-7(4-2)8(17-10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 86035535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).