6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid

C15H17ClN2O3S — CID 135419265

IUPAC6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid
SMILESO=C(O)CCCCCC1S/C(=N\c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C15H17ClN2O3S/c16-10-6-8-11(9-7-10)17-15-18-14(21)12(22-15)4-2-1-3-5-13(19)20/h6-9,12H,1-5H2,(H,19,20)(H,17,18,21)
InChIKeyUDHQGZGVGMYYPK-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.59
Rot. Bonds7

About 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid

6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid (PubChem CID 135419265) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid
PubChem CID135419265
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid
SMILESO=C(O)CCCCCC1S/C(=N\c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C15H17ClN2O3S/c16-10-6-8-11(9-7-10)17-15-18-14(21)12(22-15)4-2-1-3-5-13(19)20/h6-9,12H,1-5H2,(H,19,20)(H,17,18,21)
InChIKeyUDHQGZGVGMYYPK-UHFFFAOYSA-N
XLogP3.59
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid?
The IUPAC name of 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid (CID 135419265) is 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid.
What is the SMILES notation for 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid?
The canonical SMILES for 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid is O=C(O)CCCCCC1S/C(=N\c2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid?
The InChIKey is UDHQGZGVGMYYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c16-10-6-8-11(9-7-10)17-15-18-14(21)12(22-15)4-2-1-3-5-13(19)20/h6-9,12H,1-5H2,(H,19,20)(H,17,18,21).
What are the key properties of 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid?
6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid has a molecular weight of 340.83 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid is sourced from PubChem (CID 135419265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).