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

C17H18F2N4O2S2Si — CID 11236034

IUPAC1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
InChIInChI=1S/C17H18F2N4O2S2Si/c1-28(2,3)13-7-20-12(25-13)9-26-14-8-21-17(27-14)23-16(24)22-15-10(18)5-4-6-11(15)19/h4-8H,9H2,1-3H3,(H2,21,22,23,24)
InChIKeyDXCROKHGVZDETE-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.89
Rot. Bonds6

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

1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea (PubChem CID 11236034) has the molecular formula C17H18F2N4O2S2Si and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea
PubChem CID11236034
Molecular FormulaC17H18F2N4O2S2Si
Molecular Weight440.57 g/mol
Exact Mass440.06
IUPAC Name1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
InChIInChI=1S/C17H18F2N4O2S2Si/c1-28(2,3)13-7-20-12(25-13)9-26-14-8-21-17(27-14)23-16(24)22-15-10(18)5-4-6-11(15)19/h4-8H,9H2,1-3H3,(H2,21,22,23,24)
InChIKeyDXCROKHGVZDETE-UHFFFAOYSA-N
XLogP4.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea (CID 11236034) is 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea is C[Si](C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea?
The InChIKey is DXCROKHGVZDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2S2Si/c1-28(2,3)13-7-20-12(25-13)9-26-14-8-21-17(27-14)23-16(24)22-15-10(18)5-4-6-11(15)19/h4-8H,9H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea?
1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea has a molecular weight of 440.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[5-[(5-trimethylsilyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 11236034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).