(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

C17H12F2N2OS — CID 135707672

IUPAC(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(F)c(F)c3)S2)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-3-2-4-12(7-10)20-17-21-16(22)15(23-17)9-11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22)/b15-9+
InChIKeyAMPQGPGNZJCDBS-OQLLNIDSSA-N
MW330.36 g/mol
LogP4.16
Rot. Bonds2

About (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135707672) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135707672
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(F)c(F)c3)S2)c1
InChIInChI=1S/C17H12F2N2OS/c1-10-3-2-4-12(7-10)20-17-21-16(22)15(23-17)9-11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22)/b15-9+
InChIKeyAMPQGPGNZJCDBS-OQLLNIDSSA-N
XLogP4.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
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-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486627
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135957458
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135498605
2-(3-iodophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 165344731
(5E)-2-(3-methylphenyl)imino-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135403891
2-[3-[(E)-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948159
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137044398

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135707672) is (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(F)c(F)c3)S2)c1.
What is the InChIKey of (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is AMPQGPGNZJCDBS-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-10-3-2-4-12(7-10)20-17-21-16(22)15(23-17)9-11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,21,22)/b15-9+.
What are the key properties of (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 330.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).