N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C18H20BrFN4O2S — CID 135735426

IUPACN-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H20BrFN4O2S/c19-11-7-8-14(13(20)9-11)21-16(25)10-15-17(26)22-18(27-15)24-23-12-5-3-1-2-4-6-12/h7-9,15H,1-6,10H2,(H,21,25)(H,22,24,26)
InChIKeyPZYAPSZKCPFZFB-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.21
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135735426) has the molecular formula C18H20BrFN4O2S and a molecular weight of 455.35 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135735426
Molecular FormulaC18H20BrFN4O2S
Molecular Weight455.35 g/mol
Exact Mass454.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H20BrFN4O2S/c19-11-7-8-14(13(20)9-11)21-16(25)10-15-17(26)22-18(27-15)24-23-12-5-3-1-2-4-6-12/h7-9,15H,1-6,10H2,(H,21,25)(H,22,24,26)
InChIKeyPZYAPSZKCPFZFB-UHFFFAOYSA-N
XLogP4.21
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-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-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135735426) is N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is PZYAPSZKCPFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O2S/c19-11-7-8-14(13(20)9-11)21-16(25)10-15-17(26)22-18(27-15)24-23-12-5-3-1-2-4-6-12/h7-9,15H,1-6,10H2,(H,21,25)(H,22,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 455.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135735426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).