5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione

C11H7N3O2S — CID 28773206

IUPAC5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C11H7N3O2S/c12-6-1-2-7-8(5-6)10(16)14(9(7)15)11-13-3-4-17-11/h1-5H,12H2
InChIKeyKTPSWFYCUGFGAM-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.53
Rot. Bonds1

About 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione

5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 28773206) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID28773206
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1nccs1)C2=O
InChIInChI=1S/C11H7N3O2S/c12-6-1-2-7-8(5-6)10(16)14(9(7)15)11-13-3-4-17-11/h1-5H,12H2
InChIKeyKTPSWFYCUGFGAM-UHFFFAOYSA-N
XLogP1.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione (CID 28773206) is 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1nccs1)C2=O.
What is the InChIKey of 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is KTPSWFYCUGFGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-6-1-2-7-8(5-6)10(16)14(9(7)15)11-13-3-4-17-11/h1-5H,12H2.
What are the key properties of 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione?
5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 245.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 28773206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).