N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C12H13N5O5S — CID 135909761

IUPACN-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)C[C@H]1S/C(=N/N=C\c2ccc([N+](=O)[O-])o2)NC1=O
InChIInChI=1S/C12H13N5O5S/c1-2-13-9(18)5-8-11(19)15-12(23-8)16-14-6-7-3-4-10(22-7)17(20)21/h3-4,6,8H,2,5H2,1H3,(H,13,18)(H,15,16,19)/b14-6-/t8-/m1/s1
InChIKeyIZSXPIKHIFJTON-AXFUIOLUSA-N
MW339.33 g/mol
LogP0.64
Rot. Bonds6

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

N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135909761) has the molecular formula C12H13N5O5S and a molecular weight of 339.33 g/mol. Its IUPAC name is N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135909761
Molecular FormulaC12H13N5O5S
Molecular Weight339.33 g/mol
Exact Mass339.06
IUPAC NameN-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)C[C@H]1S/C(=N/N=C\c2ccc([N+](=O)[O-])o2)NC1=O
InChIInChI=1S/C12H13N5O5S/c1-2-13-9(18)5-8-11(19)15-12(23-8)16-14-6-7-3-4-10(22-7)17(20)21/h3-4,6,8H,2,5H2,1H3,(H,13,18)(H,15,16,19)/b14-6-/t8-/m1/s1
InChIKeyIZSXPIKHIFJTON-AXFUIOLUSA-N
XLogP0.64
TPSA139.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135589038
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135800873
2-[2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135545521
N-(2,4-dimethylphenyl)-2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136666637
2-[(2Z)-2-[(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135673331
N-(4-methoxyphenyl)-2-[(2Z)-2-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135575280
2-[(2E)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135599505
2-[(2Z)-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135599638
2-[(2Z)-2-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135746170
2-[(2Z,5R)-2-[(Z)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135920543
2-[(2Z)-2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135786844
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 135489616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135909761) is N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)C[C@H]1S/C(=N/N=C\c2ccc([N+](=O)[O-])o2)NC1=O.
What is the InChIKey of N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IZSXPIKHIFJTON-AXFUIOLUSA-N. The full InChI is InChI=1S/C12H13N5O5S/c1-2-13-9(18)5-8-11(19)15-12(23-8)16-14-6-7-3-4-10(22-7)17(20)21/h3-4,6,8H,2,5H2,1H3,(H,13,18)(H,15,16,19)/b14-6-/t8-/m1/s1.
What are the key properties of N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 339.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2E,5R)-2-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135909761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).