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

C9H14N2O2S — CID 6734555

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea
SMILESCN(CCO)C(=O)NCc1cccs1
InChIInChI=1S/C9H14N2O2S/c1-11(4-5-12)9(13)10-7-8-3-2-6-14-8/h2-3,6,12H,4-5,7H2,1H3,(H,10,13)
InChIKeyBRPLMJYPWVTWEE-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.88
Rot. Bonds4

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

1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea (PubChem CID 6734555) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea
PubChem CID6734555
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea
SMILESCN(CCO)C(=O)NCc1cccs1
InChIInChI=1S/C9H14N2O2S/c1-11(4-5-12)9(13)10-7-8-3-2-6-14-8/h2-3,6,12H,4-5,7H2,1H3,(H,10,13)
InChIKeyBRPLMJYPWVTWEE-UHFFFAOYSA-N
XLogP0.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea (CID 6734555) is 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea is CN(CCO)C(=O)NCc1cccs1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BRPLMJYPWVTWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11(4-5-12)9(13)10-7-8-3-2-6-14-8/h2-3,6,12H,4-5,7H2,1H3,(H,10,13).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 214.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 6734555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).