1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

C8H7F6N3OS — CID 659926

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3OS/c1-6(7(9,10)11,8(12,13)14)17-4(18)16-5-15-2-3-19-5/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyXDVSFEDQGJALFS-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.15
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 659926) has the molecular formula C8H7F6N3OS and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID659926
Molecular FormulaC8H7F6N3OS
Molecular Weight307.22 g/mol
Exact Mass307.02
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3OS/c1-6(7(9,10)11,8(12,13)14)17-4(18)16-5-15-2-3-19-5/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyXDVSFEDQGJALFS-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (CID 659926) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is XDVSFEDQGJALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3OS/c1-6(7(9,10)11,8(12,13)14)17-4(18)16-5-15-2-3-19-5/h2-3H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 307.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 659926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).