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

C28H22N2OS — CID 44886232

IUPAC(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22N2OS/c1-19-10-14-23(15-11-19)29-28-30(24-16-12-20(2)13-17-24)27(31)26(32-28)18-22-8-5-7-21-6-3-4-9-25(21)22/h3-18H,1-2H3/b26-18-,29-28-
InChIKeyFZSLRAZGMSXNMZ-BGTPXQLESA-N
MW434.56 g/mol
LogP7.27
Rot. Bonds3

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

(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 44886232) has the molecular formula C28H22N2OS and a molecular weight of 434.56 g/mol. Its IUPAC name is (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID44886232
Molecular FormulaC28H22N2OS
Molecular Weight434.56 g/mol
Exact Mass434.15
IUPAC Name(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22N2OS/c1-19-10-14-23(15-11-19)29-28-30(24-16-12-20(2)13-17-24)27(31)26(32-28)18-22-8-5-7-21-6-3-4-9-25(21)22/h3-18H,1-2H3/b26-18-,29-28-
InChIKeyFZSLRAZGMSXNMZ-BGTPXQLESA-N
XLogP7.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4552618
5-[(5-chloro-2-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4258845
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4252195
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 22305747
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)-3-(4-ethylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528469
(5Z)-3-ethyl-2-(3-hydroxyphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 27436477
(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126125335
(5Z)-5-benzylidene-3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 1382344
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (CID 44886232) is (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\S/C(=C\c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is FZSLRAZGMSXNMZ-BGTPXQLESA-N. The full InChI is InChI=1S/C28H22N2OS/c1-19-10-14-23(15-11-19)29-28-30(24-16-12-20(2)13-17-24)27(31)26(32-28)18-22-8-5-7-21-6-3-4-9-25(21)22/h3-18H,1-2H3/b26-18-,29-28-.
What are the key properties of (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 434.56 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44886232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).