1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea

C10H16N2O2S — CID 110896075

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-12(4-5-13)10(14)11-7-9-3-6-15-8-9/h3,6,8,13H,2,4-5,7H2,1H3,(H,11,14)
InChIKeyWCHCAYZQWDXFSZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.27
Rot. Bonds5

About 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea

1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 110896075) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
PubChem CID110896075
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-12(4-5-13)10(14)11-7-9-3-6-15-8-9/h3,6,8,13H,2,4-5,7H2,1H3,(H,11,14)
InChIKeyWCHCAYZQWDXFSZ-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea (CID 110896075) is 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea is CCN(CCO)C(=O)NCc1ccsc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is WCHCAYZQWDXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-12(4-5-13)10(14)11-7-9-3-6-15-8-9/h3,6,8,13H,2,4-5,7H2,1H3,(H,11,14).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 228.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110896075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).