2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

C20H19ClFN3O2S — CID 40830614

IUPAC2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(F)c(Cl)c3)N(C)C2=O)c1
InChIInChI=1S/C20H19ClFN3O2S/c1-11-4-5-12(2)16(8-11)24-18(26)10-17-19(27)25(3)20(28-17)23-13-6-7-15(22)14(21)9-13/h4-9,17H,10H2,1-3H3,(H,24,26)/b23-20-/t17-/m1/s1
InChIKeyQAUVIGXHDVUHQA-HLGQQVFSSA-N
MW419.91 g/mol
LogP4.69
Rot. Bonds4

About 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 40830614) has the molecular formula C20H19ClFN3O2S and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID40830614
Molecular FormulaC20H19ClFN3O2S
Molecular Weight419.91 g/mol
Exact Mass419.09
IUPAC Name2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(F)c(Cl)c3)N(C)C2=O)c1
InChIInChI=1S/C20H19ClFN3O2S/c1-11-4-5-12(2)16(8-11)24-18(26)10-17-19(27)25(3)20(28-17)23-13-6-7-15(22)14(21)9-13/h4-9,17H,10H2,1-3H3,(H,24,26)/b23-20-/t17-/m1/s1
InChIKeyQAUVIGXHDVUHQA-HLGQQVFSSA-N
XLogP4.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(5R)-3-methyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9429953
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 28914602
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143362
4-[[2-[2-(4-chloro-3-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3249943
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40830580
2-[3-butyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18205331
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 41242519

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 40830614) is 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3ccc(F)c(Cl)c3)N(C)C2=O)c1.
What is the InChIKey of 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is QAUVIGXHDVUHQA-HLGQQVFSSA-N. The full InChI is InChI=1S/C20H19ClFN3O2S/c1-11-4-5-12(2)16(8-11)24-18(26)10-17-19(27)25(3)20(28-17)23-13-6-7-15(22)14(21)9-13/h4-9,17H,10H2,1-3H3,(H,24,26)/b23-20-/t17-/m1/s1.
What are the key properties of 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 419.91 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(3-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 40830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).