1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea

C13H12F2N2OS — CID 3474816

IUPAC1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2OS/c14-9-3-4-11(15)12(8-9)17-13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2,(H2,16,17,18)
InChIKeyXHGRXLFHQWGJBS-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.39
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea

1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3474816) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID3474816
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2OS/c14-9-3-4-11(15)12(8-9)17-13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2,(H2,16,17,18)
InChIKeyXHGRXLFHQWGJBS-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea (CID 3474816) is 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is XHGRXLFHQWGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-9-3-4-11(15)12(8-9)17-13(18)16-6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2,(H2,16,17,18).
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 282.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3474816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).