[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate

C36H37FN4O6S — CID 142862064

About [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate

[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate (PubChem CID 142862064) has the molecular formula C36H37FN4O6S and a molecular weight of 672.78 g/mol. Its IUPAC name is [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate
• PubChem CID: 142862064
• Molecular Formula: C36H37FN4O6S
• Molecular Weight: 672.78 g/mol
• Exact Mass: 672.24
• IUPAC Name: [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate
• SMILES: C=C/C=C(\C=C/C)COC(=O)NCC(=O)Nc1ccc(C2S/C(=N\c3cccc(F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1
• InChI: InChI=1S/C36H37FN4O6S/c1-5-8-25(9-6-2)23-47-36(44)38-22-32(42)39-28-15-13-26(14-16-28)33-34(43)41(35(48-33)40-29-11-7-10-27(37)21-29)19-18-24-12-17-30(45-3)31(20-24)46-4/h5-17,20-21,33H,1,18-19,22-23H2,2-4H3,(H,38,44)(H,39,42)/b9-6-,25-8+,40-35-
• InChIKey: GCPTXZINOGVLMI-DZWZXPKMSA-N
• XLogP: 6.74
• TPSA: 118.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.78
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate?

The IUPAC name of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate (CID 142862064) is [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate.

What is the SMILES notation for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate?

The canonical SMILES for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate is C=C/C=C(\C=C/C)COC(=O)NCC(=O)Nc1ccc(C2S/C(=N\c3cccc(F)c3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1.

What is the InChIKey of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate?

The InChIKey is GCPTXZINOGVLMI-DZWZXPKMSA-N. The full InChI is InChI=1S/C36H37FN4O6S/c1-5-8-25(9-6-2)23-47-36(44)38-22-32(42)39-28-15-13-26(14-16-28)33-34(43)41(35(48-33)40-29-11-7-10-27(37)21-29)19-18-24-12-17-30(45-3)31(20-24)46-4/h5-17,20-21,33H,1,18-19,22-23H2,2-4H3,(H,38,44)(H,39,42)/b9-6-,25-8+,40-35-.

What are the key properties of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate?

[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate has a molecular weight of 672.78 g/mol, XLogP of 6.74, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-[2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 142862064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).