2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione

C13H11N3O2S — CID 19761179

IUPAC2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1csc(N)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11N3O2S/c1-7(10-6-19-13(14)15-10)16-11(17)8-4-2-3-5-9(8)12(16)18/h2-7H,1H3,(H2,14,15)
InChIKeyGZWZGGZVXMUPTC-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.08
Rot. Bonds2

About 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione

2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 19761179) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
PubChem CID19761179
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1csc(N)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11N3O2S/c1-7(10-6-19-13(14)15-10)16-11(17)8-4-2-3-5-9(8)12(16)18/h2-7H,1H3,(H2,14,15)
InChIKeyGZWZGGZVXMUPTC-UHFFFAOYSA-N
XLogP2.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione (CID 19761179) is 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is CC(c1csc(N)n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is GZWZGGZVXMUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7(10-6-19-13(14)15-10)16-11(17)8-4-2-3-5-9(8)12(16)18/h2-7H,1H3,(H2,14,15).
What are the key properties of 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione?
2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 273.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 19761179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).