ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

C24H27F3N2O4S — CID 2542604

About ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2542604) has the molecular formula C24H27F3N2O4S and a molecular weight of 496.55 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 2542604
• Molecular Formula: C24H27F3N2O4S
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.16
• IUPAC Name: ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C/c2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCC1CCCCC1
• InChI: InChI=1S/C24H27F3N2O4S/c1-2-33-22(31)13-21-29(15-20(30)28-14-17-6-4-3-5-7-17)23(32)19(34-21)12-16-8-10-18(11-9-16)24(25,26)27/h8-13,17H,2-7,14-15H2,1H3,(H,28,30)/b19-12+,21-13-
• InChIKey: BVPDIPKPOVWLNG-VVPWPQJISA-N
• XLogP: 2.80
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 2542604) is ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C/c2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCC1CCCCC1.

What is the InChIKey of ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is BVPDIPKPOVWLNG-VVPWPQJISA-N. The full InChI is InChI=1S/C24H27F3N2O4S/c1-2-33-22(31)13-21-29(15-20(30)28-14-17-6-4-3-5-7-17)23(32)19(34-21)12-16-8-10-18(11-9-16)24(25,26)27/h8-13,17H,2-7,14-15H2,1H3,(H,28,30)/b19-12+,21-13-.

What are the key properties of ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 496.55 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5E)-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2542604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).