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

C15H12N2O2S — CID 135403892

IUPAC(5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccco3)S2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)/b13-9+
InChIKeyRMTRZFKBZZCZDN-UKTHLTGXSA-N
MW284.34 g/mol
LogP3.48
Rot. Bonds2

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

(5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135403892) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135403892
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccco3)S2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)/b13-9+
InChIKeyRMTRZFKBZZCZDN-UKTHLTGXSA-N
XLogP3.48
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135403892) is (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccco3)S2)cc1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is RMTRZFKBZZCZDN-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)/b13-9+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135403892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).