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

C15H18ClN3O3S — CID 135488861

IUPACN-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C15H18ClN3O3S/c1-22-8-2-7-17-15-19-14(21)12(23-15)9-13(20)18-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCOCXQCWKGVMLMS-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.29
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135488861) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135488861
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C15H18ClN3O3S/c1-22-8-2-7-17-15-19-14(21)12(23-15)9-13(20)18-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCOCXQCWKGVMLMS-UHFFFAOYSA-N
XLogP2.29
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.29
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-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135488861) is N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is COCXQCWKGVMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-22-8-2-7-17-15-19-14(21)12(23-15)9-13(20)18-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 355.85 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135488861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).