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

C22H18N2O2S — CID 88888408

IUPAC(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4)o3)C(=O)N2C)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-17(11-9-15)23-22-24(2)21(25)20(27-22)14-18-12-13-19(26-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b20-14-,23-22+
InChIKeyYXZILONMXSKBNQ-JHHKTYBCSA-N
MW374.47 g/mol
LogP5.49
Rot. Bonds3

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

(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 88888408) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID88888408
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4)o3)C(=O)N2C)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-17(11-9-15)23-22-24(2)21(25)20(27-22)14-18-12-13-19(26-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b20-14-,23-22+
InChIKeyYXZILONMXSKBNQ-JHHKTYBCSA-N
XLogP5.49
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210
(5Z)-3-methyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59681883
4-[5-[(Z)-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
CID 6505246
2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 73385393
4-[5-[(Z)-[3-methyl-4-oxo-2-(4-piperidin-1-ylphenyl)imino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
CID 126029967
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 21208578
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484970
(2E,5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845746
ethyl 3-[5-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 5224788
4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 3444492
4-[5-[(Z)-[3-(2-methylsulfanylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 177372469
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18806990

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 88888408) is (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4)o3)C(=O)N2C)cc1.
What is the InChIKey of (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YXZILONMXSKBNQ-JHHKTYBCSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-8-10-17(11-9-15)23-22-24(2)21(25)20(27-22)14-18-12-13-19(26-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b20-14-,23-22+.
What are the key properties of (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 88888408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).