5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C20H16N2OS — CID 1278994

IUPAC5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2c3ccccc3cc3ccccc23)C(=O)N1C
InChIInChI=1S/C20H16N2OS/c1-21-20-22(2)19(23)18(24-20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/b18-12?,21-20+
InChIKeyXFRVRZRGQCFBMA-JULZCHTASA-N
MW332.43 g/mol
LogP4.52
Rot. Bonds1

About 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one

5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 1278994) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID1278994
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2c3ccccc3cc3ccccc23)C(=O)N1C
InChIInChI=1S/C20H16N2OS/c1-21-20-22(2)19(23)18(24-20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/b18-12?,21-20+
InChIKeyXFRVRZRGQCFBMA-JULZCHTASA-N
XLogP4.52
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.52
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(anthracen-9-ylmethylidene)-3-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126201810
5-(anthracen-9-ylmethylidene)-3-benzyl-2-benzylimino-1,3-thiazolidin-4-one
CID 3489358
2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetonitrile
CID 1283280
2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 4218373
5-(anthracen-9-ylmethylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3897593
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 126019750
(5E)-5-(anthracen-9-ylmethylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2132770
5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 4680697
(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 5290412
5-(anthracen-9-ylmethylidene)-3-benzoyl-1,3-thiazolidine-2,4-dione
CID 3322634
5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 131854156
3-[[(5E)-3-methyl-4-oxo-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126067655

Frequently Asked Questions

What is the IUPAC name of 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 1278994) is 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/SC(=Cc2c3ccccc3cc3ccccc23)C(=O)N1C.
What is the InChIKey of 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is XFRVRZRGQCFBMA-JULZCHTASA-N. The full InChI is InChI=1S/C20H16N2OS/c1-21-20-22(2)19(23)18(24-20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/b18-12?,21-20+.
What are the key properties of 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1278994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).