1-pentyl-3-thiophen-3-ylurea

C10H16N2OS — CID 58748938

IUPAC1-pentyl-3-thiophen-3-ylurea
SMILESCCCCCNC(=O)Nc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-2-3-4-6-11-10(13)12-9-5-7-14-8-9/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyGVOCFRGZEBSSAJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.06
Rot. Bonds5

About 1-pentyl-3-thiophen-3-ylurea

1-pentyl-3-thiophen-3-ylurea (PubChem CID 58748938) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-pentyl-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-pentyl-3-thiophen-3-ylurea
PubChem CID58748938
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-pentyl-3-thiophen-3-ylurea
SMILESCCCCCNC(=O)Nc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-2-3-4-6-11-10(13)12-9-5-7-14-8-9/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyGVOCFRGZEBSSAJ-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-thiophen-3-ylurea?
The IUPAC name of 1-pentyl-3-thiophen-3-ylurea (CID 58748938) is 1-pentyl-3-thiophen-3-ylurea.
What is the SMILES notation for 1-pentyl-3-thiophen-3-ylurea?
The canonical SMILES for 1-pentyl-3-thiophen-3-ylurea is CCCCCNC(=O)Nc1ccsc1.
What is the InChIKey of 1-pentyl-3-thiophen-3-ylurea?
The InChIKey is GVOCFRGZEBSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-4-6-11-10(13)12-9-5-7-14-8-9/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13).
What are the key properties of 1-pentyl-3-thiophen-3-ylurea?
1-pentyl-3-thiophen-3-ylurea has a molecular weight of 212.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-thiophen-3-ylurea is sourced from PubChem (CID 58748938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).