2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

C11H10N3O4S- — CID 135568863

IUPAC2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESC/C(=N/N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccco1
InChIInChI=1S/C11H11N3O4S/c1-6(7-3-2-4-18-7)13-14-11-12-10(17)8(19-11)5-9(15)16/h2-4,8H,5H2,1H3,(H,15,16)(H,12,14,17)/p-1/b13-6-/t8-/m1/s1
InChIKeyNWYKGPYKLJWIEB-NWKJQJTJSA-M
MW280.28 g/mol
LogP-0.27
Rot. Bonds4

About 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate

2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 135568863) has the molecular formula C11H10N3O4S- and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
PubChem CID135568863
Molecular FormulaC11H10N3O4S-
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
SMILESC/C(=N/N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccco1
InChIInChI=1S/C11H11N3O4S/c1-6(7-3-2-4-18-7)13-14-11-12-10(17)8(19-11)5-9(15)16/h2-4,8H,5H2,1H3,(H,15,16)(H,12,14,17)/p-1/b13-6-/t8-/m1/s1
InChIKeyNWYKGPYKLJWIEB-NWKJQJTJSA-M
XLogP-0.27
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
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-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 137249079
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135599472
2-[(2Z,5S)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135927839
2-[(2Z)-2-[(E)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135897268
2-[(2Z,5S)-4-oxo-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135831025
2-[(2E,5R)-4-oxo-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 136831671
2-[(2Z)-2-[(E)-1-(4-ethylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135531551
2-[(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135845629
2-[(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135830969
(2E)-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135706868

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate (CID 135568863) is 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccco1.
What is the InChIKey of 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is NWYKGPYKLJWIEB-NWKJQJTJSA-M. The full InChI is InChI=1S/C11H11N3O4S/c1-6(7-3-2-4-18-7)13-14-11-12-10(17)8(19-11)5-9(15)16/h2-4,8H,5H2,1H3,(H,15,16)(H,12,14,17)/p-1/b13-6-/t8-/m1/s1.
What are the key properties of 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate?
2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 280.28 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 135568863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).