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

C15H10F2N2O2S — CID 9486062

IUPAC(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccco2)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2S/c1-19-14(20)13(8-10-3-2-6-21-10)22-15(19)18-12-5-4-9(16)7-11(12)17/h2-8H,1H3/b13-8+,18-15+
InChIKeyAPADAVHJUUZZQD-JSVSDUBLSA-N
MW320.32 g/mol
LogP3.79
Rot. Bonds2

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

(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486062) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
PubChem CID9486062
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccco2)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2S/c1-19-14(20)13(8-10-3-2-6-21-10)22-15(19)18-12-5-4-9(16)7-11(12)17/h2-8H,1H3/b13-8+,18-15+
InChIKeyAPADAVHJUUZZQD-JSVSDUBLSA-N
XLogP3.79
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486023
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486012
(5Z)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485982
(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 18843200
(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556162
3-[[(5E)-5-(furan-2-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6023947
(2E,5E)-5-(furan-2-ylmethylidene)-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844230
2-[4-[(E)-[2-(2,4-difluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9486068
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 9485668
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486097
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485617

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one (CID 9486062) is (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1ccc(F)cc1F.
What is the InChIKey of (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is APADAVHJUUZZQD-JSVSDUBLSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c1-19-14(20)13(8-10-3-2-6-21-10)22-15(19)18-12-5-4-9(16)7-11(12)17/h2-8H,1H3/b13-8+,18-15+.
What are the key properties of (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one?
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 320.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).