2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid

C13H14N2O2S — CID 79023890

IUPAC2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)11(9)15-13-14-10(7-18-13)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSPFPKYZBIZFLW-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid

2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 79023890) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID79023890
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)11(9)15-13-14-10(7-18-13)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBSPFPKYZBIZFLW-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 79023890) is 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid is CCc1cccc(C)c1Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BSPFPKYZBIZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)11(9)15-13-14-10(7-18-13)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79023890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).