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

C12H10N2O3S — CID 80568532

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2COc3ccccc32)n1
InChIInChI=1S/C12H10N2O3S/c15-11(16)9-6-18-12(14-9)13-8-5-17-10-4-2-1-3-7(8)10/h1-4,6,8H,5H2,(H,13,14)(H,15,16)
InChIKeyXIJFFUCQQXAIKC-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.39
Rot. Bonds3

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

2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 80568532) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID80568532
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2COc3ccccc32)n1
InChIInChI=1S/C12H10N2O3S/c15-11(16)9-6-18-12(14-9)13-8-5-17-10-4-2-1-3-7(8)10/h1-4,6,8H,5H2,(H,13,14)(H,15,16)
InChIKeyXIJFFUCQQXAIKC-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid (CID 80568532) is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC2COc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XIJFFUCQQXAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(16)9-6-18-12(14-9)13-8-5-17-10-4-2-1-3-7(8)10/h1-4,6,8H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).