1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea

C11H16N2O2S — CID 111424157

IUPAC1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea
SMILESC=CCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h2-3,7,9,14H,1,4-6,8H2,(H,12,15)
InChIKeyVDRLNJOWWKDZIV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.44
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea

1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea (PubChem CID 111424157) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea
PubChem CID111424157
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea
SMILESC=CCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h2-3,7,9,14H,1,4-6,8H2,(H,12,15)
InChIKeyVDRLNJOWWKDZIV-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxyethyl)-1-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)urea
CID 49717297
1-(2-Methoxyethyl)-3-(thiophen-3-ylmethyl)urea
CID 45559772
1-Cyclopropyl-3-(2-methoxyethyl)-1-(thiophen-3-ylmethyl)urea
CID 49754300
1,3-Dimethyl-1-[(thiophen-3-YL)methyl]urea
CID 53016466
3-Ethyl-1-methyl-1-[(thiophen-3-YL)methyl]urea
CID 53016487
1-Methyl-3-(propan-2-YL)-1-[(thiophen-3-YL)methyl]urea
CID 53016506
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
1-(3-Morpholin-4-ylpropyl)-3-(thiophen-3-ylmethyl)urea
CID 60454395
2-methyl-N-(thiophen-3-ylmethyl)morpholine-4-carboxamide
CID 60475753
1-(2-Hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 71934962
2-[Thiophen-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265903
1-[1-(Thiophen-3-ylmethyl)piperidin-4-yl]-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 132378420

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea (CID 111424157) is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea is C=CCN(CCO)C(=O)NCc1ccsc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea?
The InChIKey is VDRLNJOWWKDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-4-13(5-6-14)11(15)12-8-10-3-7-16-9-10/h2-3,7,9,14H,1,4-6,8H2,(H,12,15).
What are the key properties of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea?
1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 111424157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).