1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea

C15H11FN2OS — CID 2811404

IUPAC1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc2ccccc2s1
InChIInChI=1S/C15H11FN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-14-9-10-3-1-2-4-13(10)20-14/h1-9H,(H2,17,18,19)
InChIKeyFTBAYYFEKPVZAI-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.68
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea

1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea (PubChem CID 2811404) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
PubChem CID2811404
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc2ccccc2s1
InChIInChI=1S/C15H11FN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-14-9-10-3-1-2-4-13(10)20-14/h1-9H,(H2,17,18,19)
InChIKeyFTBAYYFEKPVZAI-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-3-(4-fluorophenyl)urea
CID 163364546
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
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1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409
N-(1-benzothiophen-2-yl)cyclooctanecarboxamide
CID 150772406
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-fluorophenyl)urea
CID 46394211
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]urea
CID 155436644
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea (CID 2811404) is 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea?
The InChIKey is FTBAYYFEKPVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-14-9-10-3-1-2-4-13(10)20-14/h1-9H,(H2,17,18,19).
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea?
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea has a molecular weight of 286.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2811404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).