1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea

C21H26FN5O2S — CID 18567749

About 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea

1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (PubChem CID 18567749) has the molecular formula C21H26FN5O2S and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
• PubChem CID: 18567749
• Molecular Formula: C21H26FN5O2S
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.18
• IUPAC Name: 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)NC1CCCC1
• InChI: InChI=1S/C21H26FN5O2S/c22-15-5-7-18(8-6-15)26-9-11-27(12-10-26)19(28)13-17-14-30-21(24-17)25-20(29)23-16-3-1-2-4-16/h5-8,14,16H,1-4,9-13H2,(H2,23,24,25,29)
• InChIKey: QSKJFEACZKNEOM-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?

The IUPAC name of 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (CID 18567749) is 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea.

What is the SMILES notation for 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is O=C(Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)NC1CCCC1.

What is the InChIKey of 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?

The InChIKey is QSKJFEACZKNEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2S/c22-15-5-7-18(8-6-15)26-9-11-27(12-10-26)19(28)13-17-14-30-21(24-17)25-20(29)23-16-3-1-2-4-16/h5-8,14,16H,1-4,9-13H2,(H2,23,24,25,29).

What are the key properties of 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?

1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 431.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 18567749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).