(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide

C23H27F2N5O2S — CID 59203035

About (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 59203035) has the molecular formula C23H27F2N5O2S and a molecular weight of 475.57 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 59203035
• Molecular Formula: C23H27F2N5O2S
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.19
• IUPAC Name: (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCn1c(=O)/c(=C\Nc2cccc(CCN3CCCC3)c2)s/c1=C(/C#N)C(=O)NCC(F)F
• InChI: InChI=1S/C23H27F2N5O2S/c1-2-30-22(32)19(33-23(30)18(13-26)21(31)28-15-20(24)25)14-27-17-7-5-6-16(12-17)8-11-29-9-3-4-10-29/h5-7,12,14,20,27H,2-4,8-11,15H2,1H3,(H,28,31)/b19-14+,23-18-
• InChIKey: LACIJDMSDFFMIC-IVSMOVAOSA-N
• XLogP: 1.47
• TPSA: 90.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide (CID 59203035) is (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide is CCn1c(=O)/c(=C\Nc2cccc(CCN3CCCC3)c2)s/c1=C(/C#N)C(=O)NCC(F)F.

What is the InChIKey of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is LACIJDMSDFFMIC-IVSMOVAOSA-N. The full InChI is InChI=1S/C23H27F2N5O2S/c1-2-30-22(32)19(33-23(30)18(13-26)21(31)28-15-20(24)25)14-27-17-7-5-6-16(12-17)8-11-29-9-3-4-10-29/h5-7,12,14,20,27H,2-4,8-11,15H2,1H3,(H,28,31)/b19-14+,23-18-.

What are the key properties of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 475.57 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethyl)anilino]methylidene]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 59203035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).