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

C17H9BrN2O2S — CID 3520878

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H9BrN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15(21)12-3-1-2-4-13(12)16(20)22/h1-9H
InChIKeyZZZCDAJBCSADKT-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.37
Rot. Bonds2

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

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 3520878) has the molecular formula C17H9BrN2O2S and a molecular weight of 385.24 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID3520878
Molecular FormulaC17H9BrN2O2S
Molecular Weight385.24 g/mol
Exact Mass383.96
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H9BrN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15(21)12-3-1-2-4-13(12)16(20)22/h1-9H
InChIKeyZZZCDAJBCSADKT-UHFFFAOYSA-N
XLogP4.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 2841624
2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
CID 2717922
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-azabicyclo[2.2.2]octan-3-one
CID 25007104
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carbaldehyde
CID 71732594
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 25029709
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168519133
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(indol-3-ylidenemethyl)-5-phenyl-1H-pyrazol-3-one
CID 2869305
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 3520878) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is ZZZCDAJBCSADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2O2S/c18-11-7-5-10(6-8-11)14-9-23-17(19-14)20-15(21)12-3-1-2-4-13(12)16(20)22/h1-9H.
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione has a molecular weight of 385.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 3520878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).