1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea

C7H5F6N3OS — CID 659677

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6N3OS/c8-6(9,10)3(7(11,12)13)15-4(17)16-5-14-1-2-18-5/h1-3H,(H2,14,15,16,17)
InChIKeyJFDMPQPKSFNCMK-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.76
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 659677) has the molecular formula C7H5F6N3OS and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID659677
Molecular FormulaC7H5F6N3OS
Molecular Weight293.19 g/mol
Exact Mass293.01
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6N3OS/c8-6(9,10)3(7(11,12)13)15-4(17)16-5-14-1-2-18-5/h1-3H,(H2,14,15,16,17)
InChIKeyJFDMPQPKSFNCMK-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.76
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-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea (CID 659677) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is JFDMPQPKSFNCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N3OS/c8-6(9,10)3(7(11,12)13)15-4(17)16-5-14-1-2-18-5/h1-3H,(H2,14,15,16,17).
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 293.19 g/mol, XLogP of 2.76, 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-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 659677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).