2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate

C18H12ClN2O4S- — CID 9093366

IUPAC2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@@H]1S/C(=N\C(=O)c2ccccc2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H13ClN2O4S/c19-12-6-8-13(9-7-12)21-17(25)14(10-15(22)23)26-18(21)20-16(24)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,22,23)/p-1/b20-18-/t14-/m0/s1
InChIKeyNAJROXXWDRWLBT-DPHDRGAJSA-M
MW387.82 g/mol
LogP2.12
Rot. Bonds4

About 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate

2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 9093366) has the molecular formula C18H12ClN2O4S- and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID9093366
Molecular FormulaC18H12ClN2O4S-
Molecular Weight387.82 g/mol
Exact Mass387.02
IUPAC Name2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C([O-])C[C@@H]1S/C(=N\C(=O)c2ccccc2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H13ClN2O4S/c19-12-6-8-13(9-7-12)21-17(25)14(10-15(22)23)26-18(21)20-16(24)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,22,23)/p-1/b20-18-/t14-/m0/s1
InChIKeyNAJROXXWDRWLBT-DPHDRGAJSA-M
XLogP2.12
TPSA89.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenyl)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 4860956
2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 2310898
2-[3-(4-hydroxyphenyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135607725
2-[(2Z,5R)-3-(4-hydroxyphenyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135828455
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859703
5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 16633868
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetate
CID 7176490
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157237

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 9093366) is 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate is O=C([O-])C[C@@H]1S/C(=N\C(=O)c2ccccc2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is NAJROXXWDRWLBT-DPHDRGAJSA-M. The full InChI is InChI=1S/C18H13ClN2O4S/c19-12-6-8-13(9-7-12)21-17(25)14(10-15(22)23)26-18(21)20-16(24)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,22,23)/p-1/b20-18-/t14-/m0/s1.
What are the key properties of 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate?
2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 387.82 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 9093366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).