5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C22H18N2O2S — CID 4552618

IUPAC5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SC(=Cc3ccco3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-5-9-17(10-6-15)23-22-24(18-11-7-16(2)8-12-18)21(25)20(27-22)14-19-4-3-13-26-19/h3-14H,1-2H3/b20-14?,23-22-
InChIKeyIXRWWOHTHNLQCH-SJNGNASBSA-N
MW374.47 g/mol
LogP5.71
Rot. Bonds3

About 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 4552618) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID4552618
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SC(=Cc3ccco3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-5-9-17(10-6-15)23-22-24(18-11-7-16(2)8-12-18)21(25)20(27-22)14-19-4-3-13-26-19/h3-14H,1-2H3/b20-14?,23-22-
InChIKeyIXRWWOHTHNLQCH-SJNGNASBSA-N
XLogP5.71
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 ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 44886232
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
(5E)-5-[[4-(furan-2-yl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 44515522
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4252195
(5E)-3-(4-butylphenyl)-2-(4-butylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 18880393
5-[(5-chloro-2-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4258845
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
(5Z)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6521605
(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 1382344
2-[3-(carboxymethoxy)-4-[(Z)-[3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 171378736
(5Z)-5-(furan-2-ylmethylidene)-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297106
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 4552618) is 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SC(=Cc3ccco3)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IXRWWOHTHNLQCH-SJNGNASBSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-5-9-17(10-6-15)23-22-24(18-11-7-16(2)8-12-18)21(25)20(27-22)14-19-4-3-13-26-19/h3-14H,1-2H3/b20-14?,23-22-.
What are the key properties of 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4552618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).