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

C15H18ClN3O3S — CID 135439913

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)C(CC(=O)Nc2cccc(Cl)c2C)S1
InChIInChI=1S/C15H18ClN3O3S/c1-9-10(16)4-3-5-11(9)18-13(20)8-12-14(21)19-15(23-12)17-6-7-22-2/h3-5,12H,6-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySQPLGPFIJBSGKH-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.21
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135439913) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135439913
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCC/N=C1\NC(=O)C(CC(=O)Nc2cccc(Cl)c2C)S1
InChIInChI=1S/C15H18ClN3O3S/c1-9-10(16)4-3-5-11(9)18-13(20)8-12-14(21)19-15(23-12)17-6-7-22-2/h3-5,12H,6-8H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySQPLGPFIJBSGKH-UHFFFAOYSA-N
XLogP2.21
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135439913) is N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCC/N=C1\NC(=O)C(CC(=O)Nc2cccc(Cl)c2C)S1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SQPLGPFIJBSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-9-10(16)4-3-5-11(9)18-13(20)8-12-14(21)19-15(23-12)17-6-7-22-2/h3-5,12H,6-8H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 355.85 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135439913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).