(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile

C22H19FN2O3S — CID 8653150

IUPAC(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
SMILESCc1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccc(F)cc3)c2=O)o1
InChIInChI=1S/C22H19FN2O3S/c1-13-5-10-16(28-13)11-18-20(27)25(15-8-6-14(23)7-9-15)21(29-18)17(12-24)19(26)22(2,3)4/h5-11H,1-4H3/b18-11-,21-17-
InChIKeyRBNNTHZOUUULNE-LWONHAKGSA-N
MW410.47 g/mol
LogP3.06
Rot. Bonds3

About (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile

(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile (PubChem CID 8653150) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
PubChem CID8653150
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
SMILESCc1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccc(F)cc3)c2=O)o1
InChIInChI=1S/C22H19FN2O3S/c1-13-5-10-16(28-13)11-18-20(27)25(15-8-6-14(23)7-9-15)21(29-18)17(12-24)19(26)22(2,3)4/h5-11H,1-4H3/b18-11-,21-17-
InChIKeyRBNNTHZOUUULNE-LWONHAKGSA-N
XLogP3.06
TPSA76.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile with MolForge

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Related Compounds

2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 26271598
4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 8653023
(2E)-2-[(5E)-5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2377442
2-[3-(4-fluorophenyl)-5-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 3878149
methyl 4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 2372099
2-[3-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 5140180
2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 5199296
(2Z)-2-[(5Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 25348947
(2Z)-2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2472943
ethyl 2-[[(2Z)-2-cyano-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 98045024
(2E)-2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2395223
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 3893001

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The IUPAC name of (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile (CID 8653150) is (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile is Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccc(F)cc3)c2=O)o1.
What is the InChIKey of (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
The InChIKey is RBNNTHZOUUULNE-LWONHAKGSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-13-5-10-16(28-13)11-18-20(27)25(15-8-6-14(23)7-9-15)21(29-18)17(12-24)19(26)22(2,3)4/h5-11H,1-4H3/b18-11-,21-17-.
What are the key properties of (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile?
(2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile has a molecular weight of 410.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile is sourced from PubChem (CID 8653150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).