2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H11ClN4O5S — CID 137051546

IUPAC2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N\N=C2NC(=O)CS2)o1
InChIInChI=1S/C15H11ClN4O5S/c1-24-13-5-11(20(22)23)10(16)4-9(13)12-3-2-8(25-12)6-17-19-15-18-14(21)7-26-15/h2-6H,7H2,1H3,(H,18,19,21)/b17-6-
InChIKeySLXGGCRGXSINCJ-FMQZQXMHSA-N
MW394.80 g/mol
LogP3.07
Rot. Bonds5

About 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137051546) has the molecular formula C15H11ClN4O5S and a molecular weight of 394.80 g/mol. Its IUPAC name is 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137051546
Molecular FormulaC15H11ClN4O5S
Molecular Weight394.80 g/mol
Exact Mass394.01
IUPAC Name2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N\N=C2NC(=O)CS2)o1
InChIInChI=1S/C15H11ClN4O5S/c1-24-13-5-11(20(22)23)10(16)4-9(13)12-3-2-8(25-12)6-17-19-15-18-14(21)7-26-15/h2-6H,7H2,1H3,(H,18,19,21)/b17-6-
InChIKeySLXGGCRGXSINCJ-FMQZQXMHSA-N
XLogP3.07
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

(2Z)-2-[[5-(3-chloro-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135585370
(2Z)-2-[(E)-[5-(3-chloro-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135699642
(2E)-2-[(Z)-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779959
(2E)-2-[(Z)-[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135582314
2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172918415
(2E)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135760186
(2Z)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958588
(2E)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779965
2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137127383
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574455
(2Z)-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887061
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137051546) is 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N\N=C2NC(=O)CS2)o1.
What is the InChIKey of 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SLXGGCRGXSINCJ-FMQZQXMHSA-N. The full InChI is InChI=1S/C15H11ClN4O5S/c1-24-13-5-11(20(22)23)10(16)4-9(13)12-3-2-8(25-12)6-17-19-15-18-14(21)7-26-15/h2-6H,7H2,1H3,(H,18,19,21)/b17-6-.
What are the key properties of 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 394.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137051546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).