(2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide

C26H28F3N7O3S — CID 44621860

About (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide

(2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 44621860) has the molecular formula C26H28F3N7O3S and a molecular weight of 575.62 g/mol. Its IUPAC name is (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 44621860
• Molecular Formula: C26H28F3N7O3S
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.19
• IUPAC Name: (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C/Nc2ccc3c(ccn3C3CCN(CC(N)=O)CC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C26H28F3N7O3S/c1-2-35-24(39)21(40-25(35)19(12-30)23(38)33-15-26(27,28)29)13-32-17-3-4-20-16(11-17)5-10-36(20)18-6-8-34(9-7-18)14-22(31)37/h3-5,10-11,13,18,32H,2,6-9,14-15H2,1H3,(H2,31,37)(H,33,38)/b21-13-,25-19+
• InChIKey: QSAWRTOSIQNRTQ-DHKLOISOSA-N
• XLogP: 1.21
• TPSA: 138.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide (CID 44621860) is (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C/Nc2ccc3c(ccn3C3CCN(CC(N)=O)CC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F.

What is the InChIKey of (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is QSAWRTOSIQNRTQ-DHKLOISOSA-N. The full InChI is InChI=1S/C26H28F3N7O3S/c1-2-35-24(39)21(40-25(35)19(12-30)23(38)33-15-26(27,28)29)13-32-17-3-4-20-16(11-17)5-10-36(20)18-6-8-34(9-7-18)14-22(31)37/h3-5,10-11,13,18,32H,2,6-9,14-15H2,1H3,(H2,31,37)(H,33,38)/b21-13-,25-19+.

What are the key properties of (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?

(2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 575.62 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(5Z)-5-[[[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]indol-5-yl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 44621860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).