3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea

C26H24FN5O2S — CID 4227965

About 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea

3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 4227965) has the molecular formula C26H24FN5O2S and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea
• PubChem CID: 4227965
• Molecular Formula: C26H24FN5O2S
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.16
• IUPAC Name: 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea
• SMILES: N#Cc1ccc(NC(=O)N(CCc2csc3nc(-c4ccc(F)cc4)cn23)CC2CCCO2)cc1
• InChI: InChI=1S/C26H24FN5O2S/c27-20-7-5-19(6-8-20)24-16-32-22(17-35-26(32)30-24)11-12-31(15-23-2-1-13-34-23)25(33)29-21-9-3-18(14-28)4-10-21/h3-10,16-17,23H,1-2,11-13,15H2,(H,29,33)
• InChIKey: WNGARIPCCHZYNH-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 82.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea?

The IUPAC name of 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea (CID 4227965) is 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea.

What is the SMILES notation for 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea?

The canonical SMILES for 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea is N#Cc1ccc(NC(=O)N(CCc2csc3nc(-c4ccc(F)cc4)cn23)CC2CCCO2)cc1.

What is the InChIKey of 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea?

The InChIKey is WNGARIPCCHZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2S/c27-20-7-5-19(6-8-20)24-16-32-22(17-35-26(32)30-24)11-12-31(15-23-2-1-13-34-23)25(33)29-21-9-3-18(14-28)4-10-21/h3-10,16-17,23H,1-2,11-13,15H2,(H,29,33).

What are the key properties of 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea?

3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 489.58 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 4227965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).