2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide

C21H19N5O2S — CID 135906839

IUPAC2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)NCCc3ccccc3)S2)cc1
InChIInChI=1S/C21H19N5O2S/c22-13-16-6-8-17(9-7-16)14-24-26-21-25-20(28)18(29-21)12-19(27)23-11-10-15-4-2-1-3-5-15/h1-9,14,18H,10-12H2,(H,23,27)(H,25,26,28)/b24-14-/t18-/m1/s1
InChIKeyOOKAZKFTMOXKAL-YNJLWJOVSA-N
MW405.48 g/mol
LogP2.23
Rot. Bonds7

About 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide

2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 135906839) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
PubChem CID135906839
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)NCCc3ccccc3)S2)cc1
InChIInChI=1S/C21H19N5O2S/c22-13-16-6-8-17(9-7-16)14-24-26-21-25-20(28)18(29-21)12-19(27)23-11-10-15-4-2-1-3-5-15/h1-9,14,18H,10-12H2,(H,23,27)(H,25,26,28)/b24-14-/t18-/m1/s1
InChIKeyOOKAZKFTMOXKAL-YNJLWJOVSA-N
XLogP2.23
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[[2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135847123
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136772072
2-[[2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135626169
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136831646
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135527920
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-oxo-2-[(E)-(4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172975338
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[(2E)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137291878
N-butyl-2-[(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135810737
2-[2-[[3-[(4-cyanophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620413
2-[(2E)-2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135780226
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135453536
2-[2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620372

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide (CID 135906839) is 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide is N#Cc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)NCCc3ccccc3)S2)cc1.
What is the InChIKey of 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is OOKAZKFTMOXKAL-YNJLWJOVSA-N. The full InChI is InChI=1S/C21H19N5O2S/c22-13-16-6-8-17(9-7-16)14-24-26-21-25-20(28)18(29-21)12-19(27)23-11-10-15-4-2-1-3-5-15/h1-9,14,18H,10-12H2,(H,23,27)(H,25,26,28)/b24-14-/t18-/m1/s1.
What are the key properties of 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide?
2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5R)-2-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 135906839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).