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

C14H17N3OS — CID 89158305

IUPAC1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H17N3OS/c1-2-7-16-14(18)17-12-9-10(5-6-11(12)15)13-4-3-8-19-13/h3-6,8-9H,2,7,15H2,1H3,(H2,16,17,18)
InChIKeyIWQIMUAGEMTBIA-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.53
Rot. Bonds4

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

1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea (PubChem CID 89158305) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea
PubChem CID89158305
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C14H17N3OS/c1-2-7-16-14(18)17-12-9-10(5-6-11(12)15)13-4-3-8-19-13/h3-6,8-9H,2,7,15H2,1H3,(H2,16,17,18)
InChIKeyIWQIMUAGEMTBIA-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
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 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea?
The IUPAC name of 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea (CID 89158305) is 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(-c2cccs2)ccc1N.
What is the InChIKey of 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea?
The InChIKey is IWQIMUAGEMTBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-16-14(18)17-12-9-10(5-6-11(12)15)13-4-3-8-19-13/h3-6,8-9H,2,7,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea?
1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea has a molecular weight of 275.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-thiophen-2-ylphenyl)-3-propylurea is sourced from PubChem (CID 89158305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).