2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide

C22H15BrN2O2S — CID 52988773

IUPAC2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H
InChIKeyBUKYMFVJSHUCNP-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.34
Rot. Bonds3

About 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide

2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide (PubChem CID 52988773) has the molecular formula C22H15BrN2O2S and a molecular weight of 451.35 g/mol. Its IUPAC name is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide.

Molecular Properties

Compound Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
PubChem CID52988773
Molecular FormulaC22H15BrN2O2S
Molecular Weight451.35 g/mol
Exact Mass450.00
IUPAC Name2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
SMILESBr.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H
InChIKeyBUKYMFVJSHUCNP-UHFFFAOYSA-N
XLogP5.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The IUPAC name of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide (CID 52988773) is 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide.
What is the SMILES notation for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The canonical SMILES for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide is Br.O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
The InChIKey is BUKYMFVJSHUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S.BrH/c25-21-17-7-3-4-8-18(17)22(26)24(21)12-20-23-19(13-27-20)16-10-9-14-5-1-2-6-15(14)11-16;/h1-11,13H,12H2;1H.
What are the key properties of 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide?
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide has a molecular weight of 451.35 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide is sourced from PubChem (CID 52988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).