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

C18H18F2N4O2SSi — CID 11247168

IUPAC1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
InChIInChI=1S/C18H18F2N4O2SSi/c1-28(2,3)15-10-21-14(26-15)8-7-11-9-22-18(27-11)24-17(25)23-16-12(19)5-4-6-13(16)20/h4-10H,1-3H3,(H2,22,23,24,25)/b8-7+
InChIKeySHWUJAWKFSYBNL-BQYQJAHWSA-N
MW420.52 g/mol
LogP4.77
Rot. Bonds5

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

1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea (PubChem CID 11247168) has the molecular formula C18H18F2N4O2SSi and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
PubChem CID11247168
Molecular FormulaC18H18F2N4O2SSi
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
InChIInChI=1S/C18H18F2N4O2SSi/c1-28(2,3)15-10-21-14(26-15)8-7-11-9-22-18(27-11)24-17(25)23-16-12(19)5-4-6-13(16)20/h4-10H,1-3H3,(H2,22,23,24,25)/b8-7+
InChIKeySHWUJAWKFSYBNL-BQYQJAHWSA-N
XLogP4.77
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea (CID 11247168) is 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea is C[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The InChIKey is SHWUJAWKFSYBNL-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H18F2N4O2SSi/c1-28(2,3)15-10-21-14(26-15)8-7-11-9-22-18(27-11)24-17(25)23-16-12(19)5-4-6-13(16)20/h4-10H,1-3H3,(H2,22,23,24,25)/b8-7+.
What are the key properties of 1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
1-(2,6-difluorophenyl)-3-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea has a molecular weight of 420.52 g/mol, XLogP of 4.77, 5 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-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 11247168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).