(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H8N4O3S — CID 135504309

IUPAC(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2[N+](=O)[O-])N1
InChIInChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
InChIKeySRPWSCHAAMVGRK-VZUCSPMQSA-N
MW264.27 g/mol
LogP1.15
Rot. Bonds3

About (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135504309) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135504309
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2[N+](=O)[O-])N1
InChIInChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+
InChIKeySRPWSCHAAMVGRK-VZUCSPMQSA-N
XLogP1.15
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-Nitrobenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135411778
(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-4-ol
CID 135458975
3-nitrobenzaldehyde N-[3-(tert-butyl)-5-methyl-4-oxo-1,3-thiazolan-2-ylidene]hydrazone
CID 9566230
3-nitrobenzaldehyde N-(5-methyl-4-oxo-1,3-thiazolan-2-ylidene)hydrazone
CID 135856003
5-Methyl-1,3-thiazolidine-2,4-dione 2-[(1-{4-nitrophenyl}ethylidene)hydrazone]
CID 135401412
3-Nitrobenzaldehyde (3-allyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 5339099
3-((4-nitrobenzyl)thio)-1,2,4-triazin-5(4H)-one
CID 86261584
{2-[(4-Nitro-benzylidene)-hydrazono]-4-oxo-thiazolidin-5-yl}-acetic acid
CID 135457685
((2E)-2-{(2E)-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazono}-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 135517020
(E)-2-(E)-((1H-Indole-3-yl)methylene)hydrazono)thiazolidine-4-one (16)
CID 137014978
{2-[(3-Nitro-benzylidene)-hydrazono]-4-oxo-thiazolidin-5-yl}-acetic acid
CID 135491448
(2E)-2-[(Z)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 145966436

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135504309) is (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccccc2[N+](=O)[O-])N1.
What is the InChIKey of (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SRPWSCHAAMVGRK-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-3-1-2-4-8(7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5+.
What are the key properties of (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 264.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135504309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).