thiophen-2-ylmethylurea

C6H8N2OS — CID 2799110

IUPACthiophen-2-ylmethylurea
SMILESNC(=O)NCc1cccs1
InChIInChI=1S/C6H8N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKeyDBPGMIBBYIGDII-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.92
Rot. Bonds2

About thiophen-2-ylmethylurea

thiophen-2-ylmethylurea (PubChem CID 2799110) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is thiophen-2-ylmethylurea.

Molecular Properties

Compound Namethiophen-2-ylmethylurea
PubChem CID2799110
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Namethiophen-2-ylmethylurea
SMILESNC(=O)NCc1cccs1
InChIInChI=1S/C6H8N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKeyDBPGMIBBYIGDII-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethylurea?
The IUPAC name of thiophen-2-ylmethylurea (CID 2799110) is thiophen-2-ylmethylurea.
What is the SMILES notation for thiophen-2-ylmethylurea?
The canonical SMILES for thiophen-2-ylmethylurea is NC(=O)NCc1cccs1.
What is the InChIKey of thiophen-2-ylmethylurea?
The InChIKey is DBPGMIBBYIGDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9).
What are the key properties of thiophen-2-ylmethylurea?
thiophen-2-ylmethylurea has a molecular weight of 156.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethylurea is sourced from PubChem (CID 2799110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).