(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

C25H23F2N3O3S — CID 41114877

IUPAC(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
SMILESCc1cccc(C)c1-n1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)NC(C)C
InChIInChI=1S/C25H23F2N3O3S/c1-14(2)29-22(31)19(13-28)24-30(21-15(3)6-5-7-16(21)4)23(32)20(34-24)12-17-8-10-18(11-9-17)33-25(26)27/h5-12,14,25H,1-4H3,(H,29,31)/b20-12-,24-19+
InChIKeyIXPMKOSBNKUGPM-QJSBHHRJSA-N
MW483.54 g/mol
LogP3.14
Rot. Bonds6

About (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (PubChem CID 41114877) has the molecular formula C25H23F2N3O3S and a molecular weight of 483.54 g/mol. Its IUPAC name is (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
PubChem CID41114877
Molecular FormulaC25H23F2N3O3S
Molecular Weight483.54 g/mol
Exact Mass483.14
IUPAC Name(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
SMILESCc1cccc(C)c1-n1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)NC(C)C
InChIInChI=1S/C25H23F2N3O3S/c1-14(2)29-22(31)19(13-28)24-30(21-15(3)6-5-7-16(21)4)23(32)20(34-24)12-17-8-10-18(11-9-17)33-25(26)27/h5-12,14,25H,1-4H3,(H,29,31)/b20-12-,24-19+
InChIKeyIXPMKOSBNKUGPM-QJSBHHRJSA-N
XLogP3.14
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide 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

(2Z)-2-cyano-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
CID 6368224
(2Z)-2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 6281882
2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4598021
(2E)-2-cyano-N-cyclohexyl-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide
CID 25361341
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 3893001
(2Z)-2-[(5E)-5-benzylidene-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 18207005
(2Z)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
CID 2428574
2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 6535190
(2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
CID 8653048
(2Z)-2-cyano-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
CID 8653067
(2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide
CID 26568814
2-[(5E)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 2479572

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?
The IUPAC name of (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (CID 41114877) is (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.
What is the SMILES notation for (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?
The canonical SMILES for (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is Cc1cccc(C)c1-n1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(\C#N)C(=O)NC(C)C.
What is the InChIKey of (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?
The InChIKey is IXPMKOSBNKUGPM-QJSBHHRJSA-N. The full InChI is InChI=1S/C25H23F2N3O3S/c1-14(2)29-22(31)19(13-28)24-30(21-15(3)6-5-7-16(21)4)23(32)20(34-24)12-17-8-10-18(11-9-17)33-25(26)27/h5-12,14,25H,1-4H3,(H,29,31)/b20-12-,24-19+.
What are the key properties of (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?
(2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide has a molecular weight of 483.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is sourced from PubChem (CID 41114877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).