1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea

C19H18F2N4O2S — CID 54275611

About 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea

1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea (PubChem CID 54275611) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea
• PubChem CID: 54275611
• Molecular Formula: C19H18F2N4O2S
• Molecular Weight: 404.44 g/mol
• Exact Mass: 404.11
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea
• SMILES: CC(C)Cc1cnc(C=Cc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
• InChI: InChI=1S/C19H18F2N4O2S/c1-11(2)8-12-9-22-16(27-12)7-6-13-10-23-19(28-13)25-18(26)24-17-14(20)4-3-5-15(17)21/h3-7,9-11H,8H2,1-2H3,(H2,23,24,25,26)
• InChIKey: RNFBQIVTUWGNHG-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.44
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea (CID 54275611) is 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea is CC(C)Cc1cnc(C=Cc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea?

The InChIKey is RNFBQIVTUWGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-11(2)8-12-9-22-16(27-12)7-6-13-10-23-19(28-13)25-18(26)24-17-14(20)4-3-5-15(17)21/h3-7,9-11H,8H2,1-2H3,(H2,23,24,25,26).

What are the key properties of 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea?

1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea has a molecular weight of 404.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[5-[2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 54275611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).