(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide

C26H19BrFN3O2S — CID 1177662

IUPAC(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H19BrFN3O2S/c1-16-2-10-20(11-3-16)30-24(32)22(15-29)26-31(21-12-8-19(28)9-13-21)25(33)23(34-26)14-17-4-6-18(27)7-5-17/h2-13,23H,14H2,1H3,(H,30,32)/b26-22-/t23-/m0/s1
InChIKeyMFRPSUDIVXXUBR-YDYXIROLSA-N
MW536.43 g/mol
LogP5.96
Rot. Bonds5

About (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide

(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide (PubChem CID 1177662) has the molecular formula C26H19BrFN3O2S and a molecular weight of 536.43 g/mol. Its IUPAC name is (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
PubChem CID1177662
Molecular FormulaC26H19BrFN3O2S
Molecular Weight536.43 g/mol
Exact Mass535.04
IUPAC Name(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H19BrFN3O2S/c1-16-2-10-20(11-3-16)30-24(32)22(15-29)26-31(21-12-8-19(28)9-13-21)25(33)23(34-26)14-17-4-6-18(27)7-5-17/h2-13,23H,14H2,1H3,(H,30,32)/b26-22-/t23-/m0/s1
InChIKeyMFRPSUDIVXXUBR-YDYXIROLSA-N
XLogP5.96
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.43
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-N-(4-bromophenyl)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 6110496
(2E)-2-cyano-N-(4-fluorophenyl)-2-[(5S)-3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 40968931
N-(4-bromophenyl)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 5044384
(2Z)-2-[(5S)-3-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 98158123
(2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 6138109
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875880
2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
CID 71967073
(2Z)-2-[(5R)-5-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
CID 1177652
(2Z)-2-[(5S)-5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 41271949
2-[5-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
CID 5155732
(2E)-2-[(5S)-5-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
CID 2003103
(2E)-2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 6914825

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide (CID 1177662) is (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The InChIKey is MFRPSUDIVXXUBR-YDYXIROLSA-N. The full InChI is InChI=1S/C26H19BrFN3O2S/c1-16-2-10-20(11-3-16)30-24(32)22(15-29)26-31(21-12-8-19(28)9-13-21)25(33)23(34-26)14-17-4-6-18(27)7-5-17/h2-13,23H,14H2,1H3,(H,30,32)/b26-22-/t23-/m0/s1.
What are the key properties of (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
(2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide has a molecular weight of 536.43 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5S)-5-[(4-bromophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1177662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).