4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide

C13H15N5OS — CID 2815560

IUPAC4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15N5OS/c19-13(16-11-3-1-10-20-11)18-8-6-17(7-9-18)12-14-4-2-5-15-12/h1-5,10H,6-9H2,(H,16,19)
InChIKeyRKSKZPWGNXGYPE-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.89
Rot. Bonds2

About 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide

4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 2815560) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID2815560
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15N5OS/c19-13(16-11-3-1-10-20-11)18-8-6-17(7-9-18)12-14-4-2-5-15-12/h1-5,10H,6-9H2,(H,16,19)
InChIKeyRKSKZPWGNXGYPE-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide 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 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide (CID 2815560) is 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is RKSKZPWGNXGYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-13(16-11-3-1-10-20-11)18-8-6-17(7-9-18)12-14-4-2-5-15-12/h1-5,10H,6-9H2,(H,16,19).
What are the key properties of 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide?
4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 2815560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).