2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid

C13H10N2O3S — CID 104527113

IUPAC2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2coc3ccccc23)n1
InChIInChI=1S/C13H10N2O3S/c14-11(13(16)17)9-6-19-12(15-9)8-5-18-10-4-2-1-3-7(8)10/h1-6,11H,14H2,(H,16,17)
InChIKeyOYCUNIIUGJBAHD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527113) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527113
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2coc3ccccc23)n1
InChIInChI=1S/C13H10N2O3S/c14-11(13(16)17)9-6-19-12(15-9)8-5-18-10-4-2-1-3-7(8)10/h1-6,11H,14H2,(H,16,17)
InChIKeyOYCUNIIUGJBAHD-UHFFFAOYSA-N
XLogP2.64
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid (CID 104527113) is 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(-c2coc3ccccc23)n1.
What is the InChIKey of 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is OYCUNIIUGJBAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c14-11(13(16)17)9-6-19-12(15-9)8-5-18-10-4-2-1-3-7(8)10/h1-6,11H,14H2,(H,16,17).
What are the key properties of 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 274.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).