2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate

C19H15N4O4S- — CID 135852079

IUPAC2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate
SMILESO=C(C[C@@H]1S/C(=N/N=C\c2ccccc2C(=O)[O-])NC1=O)Nc1ccccc1
InChIInChI=1S/C19H16N4O4S/c24-16(21-13-7-2-1-3-8-13)10-15-17(25)22-19(28-15)23-20-11-12-6-4-5-9-14(12)18(26)27/h1-9,11,15H,10H2,(H,21,24)(H,26,27)(H,22,23,25)/p-1/b20-11-/t15-/m0/s1
InChIKeyWJMHBJYIFMSCCE-PFHZTYADSA-M
MW395.42 g/mol
LogP1.00
Rot. Bonds6

About 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate

2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate (PubChem CID 135852079) has the molecular formula C19H15N4O4S- and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate
PubChem CID135852079
Molecular FormulaC19H15N4O4S-
Molecular Weight395.42 g/mol
Exact Mass395.08
IUPAC Name2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate
SMILESO=C(C[C@@H]1S/C(=N/N=C\c2ccccc2C(=O)[O-])NC1=O)Nc1ccccc1
InChIInChI=1S/C19H16N4O4S/c24-16(21-13-7-2-1-3-8-13)10-15-17(25)22-19(28-15)23-20-11-12-6-4-5-9-14(12)18(26)27/h1-9,11,15H,10H2,(H,21,24)(H,26,27)(H,22,23,25)/p-1/b20-11-/t15-/m0/s1
InChIKeyWJMHBJYIFMSCCE-PFHZTYADSA-M
XLogP1.00
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072
2-[(2E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135645865
2-[2-(ethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135510892
2-[(2Z,5S)-2-[(Z)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135954566
2-[(2E,5S)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852015
[2-[[(Z)-[5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135845569
2-[(2Z,5S)-4-oxo-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136896522
N-(4-chlorophenyl)-2-[(2E,5S)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852303
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 135489616
2-[2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135418881

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate?
The IUPAC name of 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate (CID 135852079) is 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate is O=C(C[C@@H]1S/C(=N/N=C\c2ccccc2C(=O)[O-])NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate?
The InChIKey is WJMHBJYIFMSCCE-PFHZTYADSA-M. The full InChI is InChI=1S/C19H16N4O4S/c24-16(21-13-7-2-1-3-8-13)10-15-17(25)22-19(28-15)23-20-11-12-6-4-5-9-14(12)18(26)27/h1-9,11,15H,10H2,(H,21,24)(H,26,27)(H,22,23,25)/p-1/b20-11-/t15-/m0/s1.
What are the key properties of 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate?
2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate has a molecular weight of 395.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 135852079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).