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

C21H25N5O4S — CID 58795957

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

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 58795957) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 58795957
• Molecular Formula: C21H25N5O4S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.16
• IUPAC Name: (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)COc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC)n(CC)c2=O)c1
• InChI: InChI=1S/C21H25N5O4S/c1-4-23-18(27)13-30-15-9-7-8-14(10-15)25-12-17-20(29)26(6-3)21(31-17)16(11-22)19(28)24-5-2/h7-10,12,25H,4-6,13H2,1-3H3,(H,23,27)(H,24,28)/b17-12+,21-16-
• InChIKey: BIVAUKVCXOXVAO-LRAWPCGGSA-N
• XLogP: 0.11
• TPSA: 125.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 58795957) is (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)COc1cccc(N/C=c2/s/c(=C(/C#N)C(=O)NCC)n(CC)c2=O)c1.

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

The InChIKey is BIVAUKVCXOXVAO-LRAWPCGGSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-4-23-18(27)13-30-15-9-7-8-14(10-15)25-12-17-20(29)26(6-3)21(31-17)16(11-22)19(28)24-5-2/h7-10,12,25H,4-6,13H2,1-3H3,(H,23,27)(H,24,28)/b17-12+,21-16-.

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

(2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 443.53 g/mol, XLogP of 0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-ethyl-2-[(5E)-3-ethyl-5-[[3-[2-(ethylamino)-2-oxoethoxy]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 58795957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).