1-propyl-3-(2-thiophen-2-ylethyl)urea

C10H16N2OS — CID 74229353

IUPAC1-propyl-3-(2-thiophen-2-ylethyl)urea
SMILESCCCNC(=O)NCCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-2-6-11-10(13)12-7-5-9-4-3-8-14-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12,13)
InChIKeyAXTSLWHCFYPOGC-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.00
Rot. Bonds5

About 1-propyl-3-(2-thiophen-2-ylethyl)urea

1-propyl-3-(2-thiophen-2-ylethyl)urea (PubChem CID 74229353) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-propyl-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-propyl-3-(2-thiophen-2-ylethyl)urea
PubChem CID74229353
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-propyl-3-(2-thiophen-2-ylethyl)urea
SMILESCCCNC(=O)NCCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-2-6-11-10(13)12-7-5-9-4-3-8-14-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12,13)
InChIKeyAXTSLWHCFYPOGC-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-propyl-3-(2-thiophen-2-ylethyl)urea (CID 74229353) is 1-propyl-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-propyl-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-propyl-3-(2-thiophen-2-ylethyl)urea is CCCNC(=O)NCCc1cccs1.
What is the InChIKey of 1-propyl-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is AXTSLWHCFYPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-6-11-10(13)12-7-5-9-4-3-8-14-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-propyl-3-(2-thiophen-2-ylethyl)urea?
1-propyl-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 212.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 74229353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).