(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C15H11FN2OS2 — CID 9485668

IUPAC(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccccc1F
InChIInChI=1S/C15H11FN2OS2/c1-18-14(19)13(9-10-5-4-8-20-10)21-15(18)17-12-7-3-2-6-11(12)16/h2-9H,1H3/b13-9+,17-15+
InChIKeyULJHEJUUPMZEEO-MLUUXWFWSA-N
MW318.40 g/mol
LogP4.12
Rot. Bonds2

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

(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 9485668) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID9485668
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC Name(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccccc1F
InChIInChI=1S/C15H11FN2OS2/c1-18-14(19)13(9-10-5-4-8-20-10)21-15(18)17-12-7-3-2-6-11(12)16/h2-9H,1H3/b13-9+,17-15+
InChIKeyULJHEJUUPMZEEO-MLUUXWFWSA-N
XLogP4.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.12
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)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485551
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485617
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485636
ethyl 2-[3-[(E)-[2-(2-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 9485585
(5E)-5-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485560
2-[[(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27435167
2-[2-ethoxy-4-[(E)-[2-(2-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9485672
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 9486062
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486023
(5E)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485639
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27409050
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842695

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 9485668) is (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2cccs2)S/C1=N/c1ccccc1F.
What is the InChIKey of (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ULJHEJUUPMZEEO-MLUUXWFWSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-18-14(19)13(9-10-5-4-8-20-10)21-15(18)17-12-7-3-2-6-11(12)16/h2-9H,1H3/b13-9+,17-15+.
What are the key properties of (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 318.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 9485668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).