N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C14H15Cl2N3O3S — CID 135797682

IUPACN-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1
InChIInChI=1S/C14H15Cl2N3O3S/c1-22-3-2-17-14-19-13(21)11(23-14)7-12(20)18-10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1
InChIKeyMXFKQVYBEWITEP-NSHDSACASA-N
MW376.27 g/mol
LogP2.56
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135797682) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135797682
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC NameN-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1
InChIInChI=1S/C14H15Cl2N3O3S/c1-22-3-2-17-14-19-13(21)11(23-14)7-12(20)18-10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1
InChIKeyMXFKQVYBEWITEP-NSHDSACASA-N
XLogP2.56
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.56
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

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-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691464
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 135704805
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691489
N-(3,4-dichlorophenyl)-2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705027
N-(3-chloro-4-methoxyphenyl)-2-[(5S)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135705036
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135797682) is N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MXFKQVYBEWITEP-NSHDSACASA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-22-3-2-17-14-19-13(21)11(23-14)7-12(20)18-10-5-8(15)4-9(16)6-10/h4-6,11H,2-3,7H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1.
What are the key properties of N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 376.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135797682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).