N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H12BrN3O3S — CID 978790

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H12BrN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24)
InChIKeyPVUDQIFRUJYAQI-UHFFFAOYSA-N
MW442.29 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 978790) has the molecular formula C19H12BrN3O3S and a molecular weight of 442.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID978790
Molecular FormulaC19H12BrN3O3S
Molecular Weight442.29 g/mol
Exact Mass440.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H12BrN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24)
InChIKeyPVUDQIFRUJYAQI-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide 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 N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 978790) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is PVUDQIFRUJYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O3S/c20-12-7-5-11(6-8-12)15-10-27-19(21-15)22-16(24)9-23-17(25)13-3-1-2-4-14(13)18(23)26/h1-8,10H,9H2,(H,21,22,24).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 442.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 978790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).