(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one

C21H16N2O2S — CID 135782430

IUPAC(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
SMILESCc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H16N2O2S/c1-14-6-5-9-16(12-14)22-20-19(26-21(24)23-20)13-17-10-11-18(25-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,24)/b19-13-
InChIKeyYQCKNJMZZPJMRT-UYRXBGFRSA-N
MW360.44 g/mol
LogP5.78
Rot. Bonds3

About (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one

(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135782430) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
PubChem CID135782430
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
SMILESCc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H16N2O2S/c1-14-6-5-9-16(12-14)22-20-19(26-21(24)23-20)13-17-10-11-18(25-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,24)/b19-13-
InChIKeyYQCKNJMZZPJMRT-UYRXBGFRSA-N
XLogP5.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(3-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782299
5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135413275
4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 135498345
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
(5Z)-4-(3,4-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782484
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782273
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-(3,4-dimethylphenyl)imino-1,3-thiazolidin-2-one
CID 135782282
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-(4-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 135782246

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one (CID 135782430) is (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one is Cc1cccc(/N=C2\NC(=O)S\C2=C/c2ccc(-c3ccccc3)o2)c1.
What is the InChIKey of (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is YQCKNJMZZPJMRT-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-14-6-5-9-16(12-14)22-20-19(26-21(24)23-20)13-17-10-11-18(25-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,24)/b19-13-.
What are the key properties of (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 360.44 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135782430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).