2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C26H23F2N3O3S — CID 4598021

IUPAC2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#CC(C(=O)NC1CCCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H23F2N3O3S/c27-26(28)34-20-13-11-17(12-14-20)15-22-24(33)31(19-9-5-2-6-10-19)25(35-22)21(16-29)23(32)30-18-7-3-1-4-8-18/h2,5-6,9-15,18,26H,1,3-4,7-8H2,(H,30,32)
InChIKeyJRJSZDQBOLIUAN-UHFFFAOYSA-N
MW495.55 g/mol
LogP3.45
Rot. Bonds6

About 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 4598021) has the molecular formula C26H23F2N3O3S and a molecular weight of 495.55 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID4598021
Molecular FormulaC26H23F2N3O3S
Molecular Weight495.55 g/mol
Exact Mass495.14
IUPAC Name2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
SMILESN#CC(C(=O)NC1CCCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H23F2N3O3S/c27-26(28)34-20-13-11-17(12-14-20)15-22-24(33)31(19-9-5-2-6-10-19)25(35-22)21(16-29)23(32)30-18-7-3-1-4-8-18/h2,5-6,9-15,18,26H,1,3-4,7-8H2,(H,30,32)
InChIKeyJRJSZDQBOLIUAN-UHFFFAOYSA-N
XLogP3.45
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
(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
(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
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
CID 4991485
(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-(5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-ethoxyphenyl)acetamide
CID 3816595
(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-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
CID 4568886
(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 56969722
N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4209516
methyl 4-[[2-(1-cyano-2-oxo-2-phenylethylidene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 5107677

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 4598021) is 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is N#CC(C(=O)NC1CCCCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is JRJSZDQBOLIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3S/c27-26(28)34-20-13-11-17(12-14-20)15-22-24(33)31(19-9-5-2-6-10-19)25(35-22)21(16-29)23(32)30-18-7-3-1-4-8-18/h2,5-6,9-15,18,26H,1,3-4,7-8H2,(H,30,32).
What are the key properties of 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?
2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 495.55 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 4598021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).