N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide

C22H16FN5O3S2 — CID 164616501

About N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide (PubChem CID 164616501) has the molecular formula C22H16FN5O3S2 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 164616501
• Molecular Formula: C22H16FN5O3S2
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.07
• IUPAC Name: N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(/N=C2\C(=O)Nc3ccccc32)sc1C(=O)NN1C(=O)CSC1c1ccc(F)cc1
• InChI: InChI=1S/C22H16FN5O3S2/c1-11-18(33-22(24-11)26-17-14-4-2-3-5-15(14)25-19(17)30)20(31)27-28-16(29)10-32-21(28)12-6-8-13(23)9-7-12/h2-9,21H,10H2,1H3,(H,27,31)(H,24,25,26,30)
• InChIKey: OLNAVHYCQFIVCU-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 103.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide (CID 164616501) is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide is Cc1nc(/N=C2\C(=O)Nc3ccccc32)sc1C(=O)NN1C(=O)CSC1c1ccc(F)cc1.

What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide?

The InChIKey is OLNAVHYCQFIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O3S2/c1-11-18(33-22(24-11)26-17-14-4-2-3-5-15(14)25-19(17)30)20(31)27-28-16(29)10-32-21(28)12-6-8-13(23)9-7-12/h2-9,21H,10H2,1H3,(H,27,31)(H,24,25,26,30).

What are the key properties of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide?

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164616501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).