N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C23H20FN3O2S2 — CID 6299942

IUPACN-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(-c2csc(/C=C3/SC(C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C23H20FN3O2S2/c1-14-7-9-16(10-8-14)19-13-30-21(26-19)11-22-27(23(29)15(2)31-22)12-20(28)25-18-6-4-3-5-17(18)24/h3-11,13,15H,12H2,1-2H3,(H,25,28)/b22-11+
InChIKeyPISOBZRSKVVIEH-SSDVNMTOSA-N
MW453.56 g/mol
LogP5.16
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 6299942) has the molecular formula C23H20FN3O2S2 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID6299942
Molecular FormulaC23H20FN3O2S2
Molecular Weight453.56 g/mol
Exact Mass453.10
IUPAC NameN-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccc(-c2csc(/C=C3/SC(C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C23H20FN3O2S2/c1-14-7-9-16(10-8-14)19-13-30-21(26-19)11-22-27(23(29)15(2)31-22)12-20(28)25-18-6-4-3-5-17(18)24/h3-11,13,15H,12H2,1-2H3,(H,25,28)/b22-11+
InChIKeyPISOBZRSKVVIEH-SSDVNMTOSA-N
XLogP5.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-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

Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
2-(5-phenylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095741
1-(2,6-Diethylphenyl)-6-(2-methylprop-1-enyl)-5-(piperazine-1-carbonyl)-3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridin-2-one
CID 121439609
(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 154636967
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 155754874
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-(4-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891743
N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 893017
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 6299942) is N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(-c2csc(/C=C3/SC(C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is PISOBZRSKVVIEH-SSDVNMTOSA-N. The full InChI is InChI=1S/C23H20FN3O2S2/c1-14-7-9-16(10-8-14)19-13-30-21(26-19)11-22-27(23(29)15(2)31-22)12-20(28)25-18-6-4-3-5-17(18)24/h3-11,13,15H,12H2,1-2H3,(H,25,28)/b22-11+.
What are the key properties of N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 453.56 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2E)-5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 6299942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).