1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C11H18N2O2S — CID 86790705

IUPAC1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCN(CC)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)11(15)12-7-10(14)9-5-6-16-8-9/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,12,15)
InChIKeyQYDOOCUHLYKREL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.83
Rot. Bonds5

About 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 86790705) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID86790705
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCN(CC)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)11(15)12-7-10(14)9-5-6-16-8-9/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,12,15)
InChIKeyQYDOOCUHLYKREL-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 86790705) is 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CCN(CC)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is QYDOOCUHLYKREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13(4-2)11(15)12-7-10(14)9-5-6-16-8-9/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,12,15).
What are the key properties of 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 242.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 86790705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).