(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride

C13H15ClN4OS — CID 155531783

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N4OS.ClH/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13;/h1-5,10H,6-9H2;1H
InChIKeyNMQGECFUICDJBA-UHFFFAOYSA-N
MW310.81 g/mol
LogP1.92
Rot. Bonds2

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

(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride (PubChem CID 155531783) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
PubChem CID155531783
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N4OS.ClH/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13;/h1-5,10H,6-9H2;1H
InChIKeyNMQGECFUICDJBA-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 51.92
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-2-ylmethanone;hydrochloride?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride (CID 155531783) is (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride is Cl.O=C(c1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is NMQGECFUICDJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS.ClH/c18-12(11-3-1-10-19-11)16-6-8-17(9-7-16)13-14-4-2-5-15-13;/h1-5,10H,6-9H2;1H.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
(4-pyrimidin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 310.81 g/mol, XLogP of 1.92, 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-2-ylmethanone;hydrochloride is sourced from PubChem (CID 155531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).