1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea

C24H21F2N3O3S — CID 93124843

About 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea

1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea (PubChem CID 93124843) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea
• PubChem CID: 93124843
• Molecular Formula: C24H21F2N3O3S
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.13
• IUPAC Name: 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea
• SMILES: COc1ccc(C)cc1N1C(=O)CS[C@H]1c1cccc(NC(=O)Nc2ccc(F)cc2F)c1
• InChI: InChI=1S/C24H21F2N3O3S/c1-14-6-9-21(32-2)20(10-14)29-22(30)13-33-23(29)15-4-3-5-17(11-15)27-24(31)28-19-8-7-16(25)12-18(19)26/h3-12,23H,13H2,1-2H3,(H2,27,28,31)/t23-/m0/s1
• InChIKey: BJCRAEIHUQAVKS-QHCPKHFHSA-N
• XLogP: 5.70
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea?

The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea (CID 93124843) is 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea.

What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea?

The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea is COc1ccc(C)cc1N1C(=O)CS[C@H]1c1cccc(NC(=O)Nc2ccc(F)cc2F)c1.

What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea?

The InChIKey is BJCRAEIHUQAVKS-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c1-14-6-9-21(32-2)20(10-14)29-22(30)13-33-23(29)15-4-3-5-17(11-15)27-24(31)28-19-8-7-16(25)12-18(19)26/h3-12,23H,13H2,1-2H3,(H2,27,28,31)/t23-/m0/s1.

What are the key properties of 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea?

1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea has a molecular weight of 469.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea is sourced from PubChem (CID 93124843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).