1-phenyl-3-(thiophen-2-ylmethyl)urea

C12H12N2OS — CID 804973

IUPAC1-phenyl-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccccc1
InChIInChI=1S/C12H12N2OS/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14,15)
InChIKeyATWJNTLECYXJGY-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.07
Rot. Bonds3

About 1-phenyl-3-(thiophen-2-ylmethyl)urea

1-phenyl-3-(thiophen-2-ylmethyl)urea (PubChem CID 804973) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-phenyl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(thiophen-2-ylmethyl)urea
PubChem CID804973
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-phenyl-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccccc1
InChIInChI=1S/C12H12N2OS/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14,15)
InChIKeyATWJNTLECYXJGY-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-phenyl-3-(thiophen-2-ylmethyl)urea (CID 804973) is 1-phenyl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-phenyl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-phenyl-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ATWJNTLECYXJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14,15).
What are the key properties of 1-phenyl-3-(thiophen-2-ylmethyl)urea?
1-phenyl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 232.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).