1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea

C14H14N6OS — CID 71808249

IUPAC1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1cccs1
InChIInChI=1S/C14H14N6OS/c21-14(19-11-3-1-10-22-11)18-7-9-20-8-6-17-13(20)12-15-4-2-5-16-12/h1-6,8,10H,7,9H2,(H2,18,19,21)
InChIKeyOOOHAUWARLLKPU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea

1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 71808249) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID71808249
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea
SMILESO=C(NCCn1ccnc1-c1ncccn1)Nc1cccs1
InChIInChI=1S/C14H14N6OS/c21-14(19-11-3-1-10-22-11)18-7-9-20-8-6-17-13(20)12-15-4-2-5-16-12/h1-6,8,10H,7,9H2,(H2,18,19,21)
InChIKeyOOOHAUWARLLKPU-UHFFFAOYSA-N
XLogP2.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea (CID 71808249) is 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea is O=C(NCCn1ccnc1-c1ncccn1)Nc1cccs1.
What is the InChIKey of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is OOOHAUWARLLKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(19-11-3-1-10-22-11)18-7-9-20-8-6-17-13(20)12-15-4-2-5-16-12/h1-6,8,10H,7,9H2,(H2,18,19,21).
What are the key properties of 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 314.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71808249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).