1-(1-benzothiophen-2-yl)ethylurea

C11H12N2OS — CID 10104880

IUPAC1-(1-benzothiophen-2-yl)ethylurea
SMILESCC(NC(N)=O)c1cc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)
InChIKeyCKVDCQYUEYONIA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.63
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)ethylurea

1-(1-benzothiophen-2-yl)ethylurea (PubChem CID 10104880) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)ethylurea.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)ethylurea
PubChem CID10104880
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(1-benzothiophen-2-yl)ethylurea
SMILESCC(NC(N)=O)c1cc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)
InChIKeyCKVDCQYUEYONIA-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)ethylurea?
The IUPAC name of 1-(1-benzothiophen-2-yl)ethylurea (CID 10104880) is 1-(1-benzothiophen-2-yl)ethylurea.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)ethylurea?
The canonical SMILES for 1-(1-benzothiophen-2-yl)ethylurea is CC(NC(N)=O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)ethylurea?
The InChIKey is CKVDCQYUEYONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14).
What are the key properties of 1-(1-benzothiophen-2-yl)ethylurea?
1-(1-benzothiophen-2-yl)ethylurea has a molecular weight of 220.30 g/mol, XLogP of 2.63, 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)ethylurea is sourced from PubChem (CID 10104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).