2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide

C24H26BrFN4O2S — CID 22350983

IUPAC2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide
SMILESO=C(CBr)NCCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C24H26BrFN4O2S/c25-16-23(31)27-10-1-11-30-22(17-33-24(30)28-20-6-4-19(26)5-7-20)18-2-8-21(9-3-18)29-12-14-32-15-13-29/h2-9,17H,1,10-16H2,(H,27,31)/b28-24-
InChIKeyUQGPZYYUQRPONK-COOPMVRXSA-N
MW533.47 g/mol
LogP4.33
Rot. Bonds8

About 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide

2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide (PubChem CID 22350983) has the molecular formula C24H26BrFN4O2S and a molecular weight of 533.47 g/mol. Its IUPAC name is 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide
PubChem CID22350983
Molecular FormulaC24H26BrFN4O2S
Molecular Weight533.47 g/mol
Exact Mass532.09
IUPAC Name2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide
SMILESO=C(CBr)NCCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C24H26BrFN4O2S/c25-16-23(31)27-10-1-11-30-22(17-33-24(30)28-20-6-4-19(26)5-7-20)18-2-8-21(9-3-18)29-12-14-32-15-13-29/h2-9,17H,1,10-16H2,(H,27,31)/b28-24-
InChIKeyUQGPZYYUQRPONK-COOPMVRXSA-N
XLogP4.33
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]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 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide?
The IUPAC name of 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide (CID 22350983) is 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide is O=C(CBr)NCCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide?
The InChIKey is UQGPZYYUQRPONK-COOPMVRXSA-N. The full InChI is InChI=1S/C24H26BrFN4O2S/c25-16-23(31)27-10-1-11-30-22(17-33-24(30)28-20-6-4-19(26)5-7-20)18-2-8-21(9-3-18)29-12-14-32-15-13-29/h2-9,17H,1,10-16H2,(H,27,31)/b28-24-.
What are the key properties of 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide?
2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide has a molecular weight of 533.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]acetamide is sourced from PubChem (CID 22350983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).