3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea

C15H19N3OS — CID 89157966

IUPAC3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C15H19N3OS/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyWWRMWLLSXSSKJT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds4

About 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea

3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea (PubChem CID 89157966) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea.

Molecular Properties

Compound Name3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea
PubChem CID89157966
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C15H19N3OS/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19)
InChIKeyWWRMWLLSXSSKJT-UHFFFAOYSA-N
XLogP3.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea?
The IUPAC name of 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea (CID 89157966) is 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea.
What is the SMILES notation for 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea?
The canonical SMILES for 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea is CCCN(C)C(=O)Nc1cc(-c2cccs2)ccc1N.
What is the InChIKey of 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea?
The InChIKey is WWRMWLLSXSSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-8-18(2)15(19)17-13-10-11(6-7-12(13)16)14-5-4-9-20-14/h4-7,9-10H,3,8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea?
3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea has a molecular weight of 289.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-thiophen-2-ylphenyl)-1-methyl-1-propylurea is sourced from PubChem (CID 89157966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).