5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid

C15H16N2O3S — CID 106697115

IUPAC5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C15H16N2O3S/c1-4-17(11-7-5-6-9(2)8-11)15-16-12(14(19)20)13(21-15)10(3)18/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyPWGPOBVEEPMLSQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.51
Rot. Bonds5

About 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106697115) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID106697115
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C15H16N2O3S/c1-4-17(11-7-5-6-9(2)8-11)15-16-12(14(19)20)13(21-15)10(3)18/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyPWGPOBVEEPMLSQ-UHFFFAOYSA-N
XLogP3.51
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 106697115) is 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid is CCN(c1cccc(C)c1)c1nc(C(=O)O)c(C(C)=O)s1.
What is the InChIKey of 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PWGPOBVEEPMLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-4-17(11-7-5-6-9(2)8-11)15-16-12(14(19)20)13(21-15)10(3)18/h5-8H,4H2,1-3H3,(H,19,20).
What are the key properties of 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(N-ethyl-3-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).