(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide

C18H14FN3O3S — CID 25371432

IUPAC(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
SMILESC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H14FN3O3S/c1-11-17(24)22(13-6-4-12(19)5-7-13)18(26-11)15(9-20)16(23)21-10-14-3-2-8-25-14/h2-8,11H,10H2,1H3,(H,21,23)/b18-15-/t11-/m0/s1
InChIKeyAUJJDEKTEYLISW-KLIGIEKFSA-N
MW371.39 g/mol
LogP2.94
Rot. Bonds4

About (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide

(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (PubChem CID 25371432) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
PubChem CID25371432
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
SMILESC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H14FN3O3S/c1-11-17(24)22(13-6-4-12(19)5-7-13)18(26-11)15(9-20)16(23)21-10-14-3-2-8-25-14/h2-8,11H,10H2,1H3,(H,21,23)/b18-15-/t11-/m0/s1
InChIKeyAUJJDEKTEYLISW-KLIGIEKFSA-N
XLogP2.94
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 3770911
2-cyano-2-[3-(4-fluorophenyl)-5-[(3-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 3636433
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875305
2-cyano-2-[3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 3710891
(2Z)-2-cyano-2-[3-(4-ethylphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875236
2-[3-(4-bromophenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
CID 3448357
2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 3770514
(2Z)-2-[5-[(4-butylphenyl)methyl]-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
CID 18875235
(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-5-[(4-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875323
(2Z)-2-cyano-2-[(5S)-5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 98158075
(2Z)-2-cyano-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875264
(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 18875322

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (CID 25371432) is (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AUJJDEKTEYLISW-KLIGIEKFSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-11-17(24)22(13-6-4-12(19)5-7-13)18(26-11)15(9-20)16(23)21-10-14-3-2-8-25-14/h2-8,11H,10H2,1H3,(H,21,23)/b18-15-/t11-/m0/s1.
What are the key properties of (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide?
(2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5S)-3-(4-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 25371432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).