N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide

C23H17BrN2O2S — CID 2131757

IUPACN-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccccc1-n1c(-c2ccc(Br)cc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C23H17BrN2O2S/c1-28-21-10-6-5-9-19(21)26-20(16-11-13-18(24)14-12-16)15-29-23(26)25-22(27)17-7-3-2-4-8-17/h2-15H,1H3/b25-23-
InChIKeySDYXCEYXIZGHDK-BZZOAKBMSA-N
MW465.37 g/mol
LogP5.72
Rot. Bonds4

About N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide

N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 2131757) has the molecular formula C23H17BrN2O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID2131757
Molecular FormulaC23H17BrN2O2S
Molecular Weight465.37 g/mol
Exact Mass464.02
IUPAC NameN-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccccc1-n1c(-c2ccc(Br)cc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C23H17BrN2O2S/c1-28-21-10-6-5-9-19(21)26-20(16-11-13-18(24)14-12-16)15-29-23(26)25-22(27)17-7-3-2-4-8-17/h2-15H,1H3/b25-23-
InChIKeySDYXCEYXIZGHDK-BZZOAKBMSA-N
XLogP5.72
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide 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)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide (CID 2131757) is N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide is COc1ccccc1-n1c(-c2ccc(Br)cc2)cs/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is SDYXCEYXIZGHDK-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H17BrN2O2S/c1-28-21-10-6-5-9-19(21)26-20(16-11-13-18(24)14-12-16)15-29-23(26)25-22(27)17-7-3-2-4-8-17/h2-15H,1H3/b25-23-.
What are the key properties of N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide?
N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 465.37 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 2131757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).