1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea

C16H21N5OS — CID 51081912

IUPAC1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(19-9-4-14-3-1-12-23-14)20-13-5-10-21(11-6-13)15-17-7-2-8-18-15/h1-3,7-8,12-13H,4-6,9-11H2,(H2,19,20,22)
InChIKeyLUNCQYHLELYYCX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.05
Rot. Bonds5

About 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea

1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 51081912) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID51081912
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(19-9-4-14-3-1-12-23-14)20-13-5-10-21(11-6-13)15-17-7-2-8-18-15/h1-3,7-8,12-13H,4-6,9-11H2,(H2,19,20,22)
InChIKeyLUNCQYHLELYYCX-UHFFFAOYSA-N
XLogP2.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-pyrimidin-2-ylpiperidin-4-yl)-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-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea (CID 51081912) is 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is LUNCQYHLELYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(19-9-4-14-3-1-12-23-14)20-13-5-10-21(11-6-13)15-17-7-2-8-18-15/h1-3,7-8,12-13H,4-6,9-11H2,(H2,19,20,22).
What are the key properties of 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea?
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 331.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 51081912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).