N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C22H22ClN3O2S — CID 16555650

IUPACN-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CC2)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-6-7-14(2)18(10-13)25-22-26(17-8-9-17)21(28)19(29-22)12-20(27)24-16-5-3-4-15(23)11-16/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-
InChIKeyKWEUDHQOEBHWQB-LVWGJNHUSA-N
MW427.96 g/mol
LogP5.08
Rot. Bonds5

About N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 16555650) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID16555650
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC NameN-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CC2)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-6-7-14(2)18(10-13)25-22-26(17-8-9-17)21(28)19(29-22)12-20(27)24-16-5-3-4-15(23)11-16/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-
InChIKeyKWEUDHQOEBHWQB-LVWGJNHUSA-N
XLogP5.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.08
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-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974
2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715661
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
2-[(5S)-3-cyclopropyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8715564
2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2701235
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 5057322
2-[(5R)-3-cyclopropyl-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8825808
2-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 3499708
2-[(5S)-3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715610
2-[(5S)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7974349

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 16555650) is N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C)c(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C2CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is KWEUDHQOEBHWQB-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-13-6-7-14(2)18(10-13)25-22-26(17-8-9-17)21(28)19(29-22)12-20(27)24-16-5-3-4-15(23)11-16/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,24,27)/b25-22-.
What are the key properties of N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 427.96 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 16555650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).