5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C12H15N3O2S — CID 131854156

IUPAC5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\SC(=Cc2ccc(N(C)C)o2)C(=O)N1C
InChIInChI=1S/C12H15N3O2S/c1-13-12-15(4)11(16)9(18-12)7-8-5-6-10(17-8)14(2)3/h5-7H,1-4H3/b9-7?,13-12-
InChIKeyMISRADXJPANQLH-PKPSZKGSSA-N
MW265.34 g/mol
LogP1.88
Rot. Bonds2

About 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 131854156) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID131854156
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1\SC(=Cc2ccc(N(C)C)o2)C(=O)N1C
InChIInChI=1S/C12H15N3O2S/c1-13-12-15(4)11(16)9(18-12)7-8-5-6-10(17-8)14(2)3/h5-7H,1-4H3/b9-7?,13-12-
InChIKeyMISRADXJPANQLH-PKPSZKGSSA-N
XLogP1.88
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 21208578
(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124637942
5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1278994
2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 73385393
N-[(5Z)-3-methyl-5-[(5-nitrofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 23275509
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
5-[(4-ethoxy-3-iodophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 4680697
3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 1239094
(5Z)-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210
methyl 4-[[(5E)-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 9485316
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484970
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-methyl-2-(3-methylsulfanylphenyl)imino-1,3-thiazolidin-4-one
CID 9485439

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 131854156) is 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1\SC(=Cc2ccc(N(C)C)o2)C(=O)N1C.
What is the InChIKey of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is MISRADXJPANQLH-PKPSZKGSSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-13-12-15(4)11(16)9(18-12)7-8-5-6-10(17-8)14(2)3/h5-7H,1-4H3/b9-7?,13-12-.
What are the key properties of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 131854156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).