2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H12ClN3O2S — CID 172918415

IUPAC2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c(Cl)cccc1-c1ccc(/C=N/N=C2NC(=O)CS2)o1
InChIInChI=1S/C15H12ClN3O2S/c1-9-11(3-2-4-12(9)16)13-6-5-10(21-13)7-17-19-15-18-14(20)8-22-15/h2-7H,8H2,1H3,(H,18,19,20)/b17-7+
InChIKeyYLSOEPQUJQMKDW-REZTVBANSA-N
MW333.80 g/mol
LogP3.46
Rot. Bonds3

About 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172918415) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172918415
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c(Cl)cccc1-c1ccc(/C=N/N=C2NC(=O)CS2)o1
InChIInChI=1S/C15H12ClN3O2S/c1-9-11(3-2-4-12(9)16)13-6-5-10(21-13)7-17-19-15-18-14(20)8-22-15/h2-7H,8H2,1H3,(H,18,19,20)/b17-7+
InChIKeyYLSOEPQUJQMKDW-REZTVBANSA-N
XLogP3.46
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2E)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135760186
(2E)-2-[(Z)-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779959
(2Z)-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887061
2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137127383
(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
2-[(Z)-[5-(5-chloro-2-methoxy-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137051546
2-[(E)-(5-iodofuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137192592
(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
(2E)-2-[(Z)-[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135582314
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 172918415) is 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1c(Cl)cccc1-c1ccc(/C=N/N=C2NC(=O)CS2)o1.
What is the InChIKey of 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YLSOEPQUJQMKDW-REZTVBANSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-9-11(3-2-4-12(9)16)13-6-5-10(21-13)7-17-19-15-18-14(20)8-22-15/h2-7H,8H2,1H3,(H,18,19,20)/b17-7+.
What are the key properties of 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 333.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172918415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).