N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C15H15ClF3N3O3S — CID 135691464

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1
InChIInChI=1S/C15H15ClF3N3O3S/c1-25-5-4-20-14-22-13(24)11(26-14)7-12(23)21-10-6-8(15(17,18)19)2-3-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,21,23)(H,20,22,24)/t11-/m1/s1
InChIKeyLGBZAOKYAOXRSJ-LLVKDONJSA-N
MW409.82 g/mol
LogP2.92
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691464) has the molecular formula C15H15ClF3N3O3S and a molecular weight of 409.82 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691464
Molecular FormulaC15H15ClF3N3O3S
Molecular Weight409.82 g/mol
Exact Mass409.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1
InChIInChI=1S/C15H15ClF3N3O3S/c1-25-5-4-20-14-22-13(24)11(26-14)7-12(23)21-10-6-8(15(17,18)19)2-3-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,21,23)(H,20,22,24)/t11-/m1/s1
InChIKeyLGBZAOKYAOXRSJ-LLVKDONJSA-N
XLogP2.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 135535538
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691489
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 3147420
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 135704805
N-(4-bromophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691443
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2185155
N-(2-chlorophenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1016005
2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 135775069
N-(2-chloro-5-nitrophenyl)-2-[2-(1-methoxypropan-2-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828269

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135691464) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is LGBZAOKYAOXRSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3S/c1-25-5-4-20-14-22-13(24)11(26-14)7-12(23)21-10-6-8(15(17,18)19)2-3-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,21,23)(H,20,22,24)/t11-/m1/s1.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 409.82 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).