1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea

C15H10F2N2OS — CID 2816287

IUPAC1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1csc2ccccc12
InChIInChI=1S/C15H10F2N2OS/c16-9-5-6-12(11(17)7-9)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20)
InChIKeyDBJPIECCCLVZQM-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.82
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea

1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 2816287) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID2816287
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1csc2ccccc12
InChIInChI=1S/C15H10F2N2OS/c16-9-5-6-12(11(17)7-9)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20)
InChIKeyDBJPIECCCLVZQM-UHFFFAOYSA-N
XLogP4.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea (CID 2816287) is 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is DBJPIECCCLVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-9-5-6-12(11(17)7-9)18-15(20)19-13-8-21-14-4-2-1-3-10(13)14/h1-8H,(H2,18,19,20).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea?
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 304.32 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 2816287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).