1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea

C18H20FN3O4S — CID 30375278

About 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 30375278) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
• PubChem CID: 30375278
• Molecular Formula: C18H20FN3O4S
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.12
• IUPAC Name: 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
• SMILES: COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C18H20FN3O4S/c1-26-17-8-7-15(22-9-2-10-27(22,24)25)11-16(17)21-18(23)20-12-13-3-5-14(19)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H2,20,21,23)
• InChIKey: AIFZVRWCDPVCFE-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea?

The IUPAC name of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea (CID 30375278) is 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea.

What is the SMILES notation for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea?

The canonical SMILES for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea is COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(F)cc1.

What is the InChIKey of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea?

The InChIKey is AIFZVRWCDPVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-26-17-8-7-15(22-9-2-10-27(22,24)25)11-16(17)21-18(23)20-12-13-3-5-14(19)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H2,20,21,23).

What are the key properties of 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea?

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 393.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 30375278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).