2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H17N3OS — CID 168574049

IUPAC2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2cccc(C=NN=C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-19-21-18-20-17(22)12-23-18/h3-11H,2,12H2,1H3,(H,20,21,22)
InChIKeyNTLDTNFNDPWDEM-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.47
Rot. Bonds4

About 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574049) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574049
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2cccc(C=NN=C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-19-21-18-20-17(22)12-23-18/h3-11H,2,12H2,1H3,(H,20,21,22)
InChIKeyNTLDTNFNDPWDEM-UHFFFAOYSA-N
XLogP3.47
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576544
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
2-[2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620424
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574258
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574049) is 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCc1ccc(-c2cccc(C=NN=C3NC(=O)CS3)c2)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NTLDTNFNDPWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-19-21-18-20-17(22)12-23-18/h3-11H,2,12H2,1H3,(H,20,21,22).
What are the key properties of 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).