thiophen-3-ylurea

C5H6N2OS — CID 19072905

IUPACthiophen-3-ylurea
SMILESNC(=O)Nc1ccsc1
InChIInChI=1S/C5H6N2OS/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8)
InChIKeyOQNKBMATPLZSST-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.24
Rot. Bonds1

About thiophen-3-ylurea

thiophen-3-ylurea (PubChem CID 19072905) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is thiophen-3-ylurea.

Molecular Properties

Compound Namethiophen-3-ylurea
PubChem CID19072905
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Namethiophen-3-ylurea
SMILESNC(=O)Nc1ccsc1
InChIInChI=1S/C5H6N2OS/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8)
InChIKeyOQNKBMATPLZSST-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylurea?
The IUPAC name of thiophen-3-ylurea (CID 19072905) is thiophen-3-ylurea.
What is the SMILES notation for thiophen-3-ylurea?
The canonical SMILES for thiophen-3-ylurea is NC(=O)Nc1ccsc1.
What is the InChIKey of thiophen-3-ylurea?
The InChIKey is OQNKBMATPLZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-5(8)7-4-1-2-9-3-4/h1-3H,(H3,6,7,8).
What are the key properties of thiophen-3-ylurea?
thiophen-3-ylurea has a molecular weight of 142.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylurea is sourced from PubChem (CID 19072905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).