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

C15H17NO2S — CID 95478146

IUPAC2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(C(C)C)cc2)c(C(=O)O)s1
InChIInChI=1S/C15H17NO2S/c1-4-12-16-13(14(19-12)15(17)18)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyIBWIZVJZWULPLS-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.19
Rot. Bonds4

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

2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 95478146) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID95478146
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2ccc(C(C)C)cc2)c(C(=O)O)s1
InChIInChI=1S/C15H17NO2S/c1-4-12-16-13(14(19-12)15(17)18)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyIBWIZVJZWULPLS-UHFFFAOYSA-N
XLogP4.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid (CID 95478146) is 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2ccc(C(C)C)cc2)c(C(=O)O)s1.
What is the InChIKey of 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IBWIZVJZWULPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-12-16-13(14(19-12)15(17)18)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid?
2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95478146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).