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

C15H13NO3S — CID 106510771

IUPAC2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2c(C)oc3ccccc23)s1
InChIInChI=1S/C15H13NO3S/c1-3-11-16-13(15(17)18)14(20-11)12-8(2)19-10-7-5-4-6-9(10)12/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyBOZWDXVENYSNOZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP4.13
Rot. Bonds3

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

2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510771) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510771
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(-c2c(C)oc3ccccc23)s1
InChIInChI=1S/C15H13NO3S/c1-3-11-16-13(15(17)18)14(20-11)12-8(2)19-10-7-5-4-6-9(10)12/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyBOZWDXVENYSNOZ-UHFFFAOYSA-N
XLogP4.13
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1-benzofuran-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114360623
2-ethyl-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510717
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510751
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
3-[2-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485214
5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510698
5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
5-(3-benzylcyclobuten-1-yl)-8-ethyl-2-(2-methyl-1-benzofuran-3-yl)quinoline-4-carboxylic acid
CID 163465522
2-ethyl-5-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 107105442
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid (CID 106510771) is 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(-c2c(C)oc3ccccc23)s1.
What is the InChIKey of 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BOZWDXVENYSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-11-16-13(15(17)18)14(20-11)12-8(2)19-10-7-5-4-6-9(10)12/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methyl-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).