2-thiophen-2-ylethylurea

C7H10N2OS — CID 4962323

IUPAC2-thiophen-2-ylethylurea
SMILESNC(=O)NCCc1cccs1
InChIInChI=1S/C7H10N2OS/c8-7(10)9-4-3-6-2-1-5-11-6/h1-2,5H,3-4H2,(H3,8,9,10)
InChIKeyOPFZOWWTCYPZND-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.96
Rot. Bonds3

About 2-thiophen-2-ylethylurea

2-thiophen-2-ylethylurea (PubChem CID 4962323) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-thiophen-2-ylethylurea.

Molecular Properties

Compound Name2-thiophen-2-ylethylurea
PubChem CID4962323
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-thiophen-2-ylethylurea
SMILESNC(=O)NCCc1cccs1
InChIInChI=1S/C7H10N2OS/c8-7(10)9-4-3-6-2-1-5-11-6/h1-2,5H,3-4H2,(H3,8,9,10)
InChIKeyOPFZOWWTCYPZND-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethylurea?
The IUPAC name of 2-thiophen-2-ylethylurea (CID 4962323) is 2-thiophen-2-ylethylurea.
What is the SMILES notation for 2-thiophen-2-ylethylurea?
The canonical SMILES for 2-thiophen-2-ylethylurea is NC(=O)NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylurea?
The InChIKey is OPFZOWWTCYPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c8-7(10)9-4-3-6-2-1-5-11-6/h1-2,5H,3-4H2,(H3,8,9,10).
What are the key properties of 2-thiophen-2-ylethylurea?
2-thiophen-2-ylethylurea has a molecular weight of 170.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylurea is sourced from PubChem (CID 4962323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).