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

C12H9NO3S — CID 2742272

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C12H9NO3S/c14-12(15)9-6-17-11(13-9)8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyNOUOFPSRFBTJCH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.44
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 2742272) has the molecular formula C12H9NO3S and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID2742272
Molecular FormulaC12H9NO3S
Molecular Weight247.27 g/mol
Exact Mass247.03
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C12H9NO3S/c14-12(15)9-6-17-11(13-9)8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyNOUOFPSRFBTJCH-UHFFFAOYSA-N
XLogP2.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid (CID 2742272) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NOUOFPSRFBTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-12(15)9-6-17-11(13-9)8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2742272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).