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

C14H16N4OS — CID 4810987

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4OS/c19-13(10-12-2-9-20-11-12)17-5-7-18(8-6-17)14-15-3-1-4-16-14/h1-4,9,11H,5-8,10H2
InChIKeyYIODXXBZKROQQF-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.43
Rot. Bonds3

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

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 4810987) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone
PubChem CID4810987
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4OS/c19-13(10-12-2-9-20-11-12)17-5-7-18(8-6-17)14-15-3-1-4-16-14/h1-4,9,11H,5-8,10H2
InChIKeyYIODXXBZKROQQF-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
1-[(3-Methyl-2-thienyl)carbonyl]-4-(2-pyridinyl)piperazine
CID 3283010
8-methyl-2-(methylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328644
2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-ylcarbonyl)-1-piperazinyl]pyrimidine
CID 1244298
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-ylcarbonyl)piperazin-1-yl]pyrimidine
CID 3240370
[4-(4-Methylthiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708989
(3-Methylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17398754
2-amino-8-methyl-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328643
(4-Ethyl-5-methylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8180381

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone (CID 4810987) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is YIODXXBZKROQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-13(10-12-2-9-20-11-12)17-5-7-18(8-6-17)14-15-3-1-4-16-14/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone?
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 288.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 4810987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).