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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Related Compounds

2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052
CID 163871249
CID 163871249
2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
CID 97286906
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine
CID 143120043
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
2-[1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]butyl]isoindole-1,3-dione
CID 20508427

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).