(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone

C13H14N4OS — CID 17398737

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N4OS/c18-12(11-2-9-19-10-11)16-5-7-17(8-6-16)13-14-3-1-4-15-13/h1-4,9-10H,5-8H2
InChIKeyGBQUGWZSGKICIB-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.50
Rot. Bonds2

About (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone

(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone (PubChem CID 17398737) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone
PubChem CID17398737
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N4OS/c18-12(11-2-9-19-10-11)16-5-7-17(8-6-16)13-14-3-1-4-15-13/h1-4,9-10H,5-8H2
InChIKeyGBQUGWZSGKICIB-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone (CID 17398737) is (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is GBQUGWZSGKICIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-12(11-2-9-19-10-11)16-5-7-17(8-6-16)13-14-3-1-4-15-13/h1-4,9-10H,5-8H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 274.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 17398737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).