1-(1-benzothiophen-3-yl)-3-phenylurea

C15H12N2OS — CID 2813497

IUPAC1-(1-benzothiophen-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c18-15(16-11-6-2-1-3-7-11)17-13-10-19-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17,18)
InChIKeyGATLMZLWFIXMKR-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.55
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-3-phenylurea

1-(1-benzothiophen-3-yl)-3-phenylurea (PubChem CID 2813497) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-phenylurea
PubChem CID2813497
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-(1-benzothiophen-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1csc2ccccc12
InChIInChI=1S/C15H12N2OS/c18-15(16-11-6-2-1-3-7-11)17-13-10-19-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17,18)
InChIKeyGATLMZLWFIXMKR-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.55
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-phenylurea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-phenylurea (CID 2813497) is 1-(1-benzothiophen-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-phenylurea?
The InChIKey is GATLMZLWFIXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(16-11-6-2-1-3-7-11)17-13-10-19-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17,18).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-phenylurea?
1-(1-benzothiophen-3-yl)-3-phenylurea has a molecular weight of 268.34 g/mol, XLogP of 4.55, 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-phenylurea is sourced from PubChem (CID 2813497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).