1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea

C14H13N3OS — CID 5017026

IUPAC1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESN#Cc1ccc(NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C14H13N3OS/c15-10-11-3-5-12(6-4-11)17-14(18)16-8-7-13-2-1-9-19-13/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyMIOYSOXSWXUDOP-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea

1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 5017026) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID5017026
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESN#Cc1ccc(NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C14H13N3OS/c15-10-11-3-5-12(6-4-11)17-14(18)16-8-7-13-2-1-9-19-13/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyMIOYSOXSWXUDOP-UHFFFAOYSA-N
XLogP2.98
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea (CID 5017026) is 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea is N#Cc1ccc(NC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is MIOYSOXSWXUDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-10-11-3-5-12(6-4-11)17-14(18)16-8-7-13-2-1-9-19-13/h1-6,9H,7-8H2,(H2,16,17,18).
What are the key properties of 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 271.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 5017026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).