1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C23H22F3N3O2S — CID 68749284

About 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 68749284) has the molecular formula C23H22F3N3O2S and a molecular weight of 461.51 g/mol. Its IUPAC name is 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 68749284
• Molecular Formula: C23H22F3N3O2S
• Molecular Weight: 461.51 g/mol
• Exact Mass: 461.14
• IUPAC Name: 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: Cc1nc(C2(O)CCCC2)sc1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C23H22F3N3O2S/c1-14-19(32-20(27-14)22(31)11-2-3-12-22)15-7-9-17(10-8-15)28-21(30)29-18-6-4-5-16(13-18)23(24,25)26/h4-10,13,31H,2-3,11-12H2,1H3,(H2,28,29,30)
• InChIKey: WUBORKZPGWKXLV-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.51
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 68749284) is 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1nc(C2(O)CCCC2)sc1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is WUBORKZPGWKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2S/c1-14-19(32-20(27-14)22(31)11-2-3-12-22)15-7-9-17(10-8-15)28-21(30)29-18-6-4-5-16(13-18)23(24,25)26/h4-10,13,31H,2-3,11-12H2,1H3,(H2,28,29,30).

What are the key properties of 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 461.51 g/mol, XLogP of 6.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(1-hydroxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 68749284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).