(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

C15H12N4O4S — CID 135850163

IUPAC(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4S/c20-14-13(8-10-3-1-4-11(7-10)19(21)22)24-15(17-14)18-16-9-12-5-2-6-23-12/h1-7,9,13H,8H2,(H,17,18,20)/t13-/m0/s1
InChIKeyZZLUSLRYGSCJKP-ZDUSSCGKSA-N
MW344.35 g/mol
LogP2.35
Rot. Bonds5

About (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135850163) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135850163
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4S/c20-14-13(8-10-3-1-4-11(7-10)19(21)22)24-15(17-14)18-16-9-12-5-2-6-23-12/h1-7,9,13H,8H2,(H,17,18,20)/t13-/m0/s1
InChIKeyZZLUSLRYGSCJKP-ZDUSSCGKSA-N
XLogP2.35
TPSA110.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 137186438
(2Z,5R)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135934506
(2E,5S)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666862
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135712087
(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478269
(2E)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478270
(2E,5R)-5-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726164
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063
(2E,5R)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135763917
(2E)-2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135645347
(2E,5S)-2-[(Z)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135780067
2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 137179474

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (CID 135850163) is (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ZZLUSLRYGSCJKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12N4O4S/c20-14-13(8-10-3-1-4-11(7-10)19(21)22)24-15(17-14)18-16-9-12-5-2-6-23-12/h1-7,9,13H,8H2,(H,17,18,20)/t13-/m0/s1.
What are the key properties of (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 344.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135850163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).