1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea

C10H16N2O2S — CID 103686059

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-4-11-10(14)12-6-9(13)8-3-5-15-7-8/h3,5,7,9,13H,2,4,6H2,1H3,(H2,11,12,14)
InChIKeyWRRDUDZYLOSSJG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.49
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea (PubChem CID 103686059) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
PubChem CID103686059
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-4-11-10(14)12-6-9(13)8-3-5-15-7-8/h3,5,7,9,13H,2,4,6H2,1H3,(H2,11,12,14)
InChIKeyWRRDUDZYLOSSJG-UHFFFAOYSA-N
XLogP1.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111444022
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
CID 111440872
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 111440919
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441091
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea (CID 103686059) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea is CCCNC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea?
The InChIKey is WRRDUDZYLOSSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-4-11-10(14)12-6-9(13)8-3-5-15-7-8/h3,5,7,9,13H,2,4,6H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea has a molecular weight of 228.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea is sourced from PubChem (CID 103686059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).