1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C12H14N2O2S — CID 71798553

IUPAC1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1ccoc1)NCc1cccs1
InChIInChI=1S/C12H14N2O2S/c15-12(14-8-11-2-1-7-17-11)13-5-3-10-4-6-16-9-10/h1-2,4,6-7,9H,3,5,8H2,(H2,13,14,15)
InChIKeyUESDDBOFRUQIIO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71798553) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71798553
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1ccoc1)NCc1cccs1
InChIInChI=1S/C12H14N2O2S/c15-12(14-8-11-2-1-7-17-11)13-5-3-10-4-6-16-9-10/h1-2,4,6-7,9H,3,5,8H2,(H2,13,14,15)
InChIKeyUESDDBOFRUQIIO-UHFFFAOYSA-N
XLogP2.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71798553) is 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCc1ccoc1)NCc1cccs1.
What is the InChIKey of 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is UESDDBOFRUQIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-12(14-8-11-2-1-7-17-11)13-5-3-10-4-6-16-9-10/h1-2,4,6-7,9H,3,5,8H2,(H2,13,14,15).
What are the key properties of 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 250.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71798553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).