2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

C15H20N6S — CID 154830384

IUPAC2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6S/c1-2-7-20(6-1)14-16-4-3-13(18-14)19-8-10-21(11-9-19)15-17-5-12-22-15/h3-5,12H,1-2,6-11H2
InChIKeyIHFLPJRREMLTLK-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 154830384) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID154830384
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESc1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6S/c1-2-7-20(6-1)14-16-4-3-13(18-14)19-8-10-21(11-9-19)15-17-5-12-22-15/h3-5,12H,1-2,6-11H2
InChIKeyIHFLPJRREMLTLK-UHFFFAOYSA-N
XLogP1.86
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 68936225
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol
CID 163352629
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (CID 154830384) is 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is c1cc(N2CCN(c3nccs3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is IHFLPJRREMLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-2-7-20(6-1)14-16-4-3-13(18-14)19-8-10-21(11-9-19)15-17-5-12-22-15/h3-5,12H,1-2,6-11H2.
What are the key properties of 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 316.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 154830384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).