4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole

C12H15N5S — CID 31981427

IUPAC4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H15N5S/c1-10-9-18-12(15-10)17-7-5-16(6-8-17)11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3
InChIKeyJQPHRJAPQNXYKY-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole

4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 31981427) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID31981427
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H15N5S/c1-10-9-18-12(15-10)17-7-5-16(6-8-17)11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3
InChIKeyJQPHRJAPQNXYKY-UHFFFAOYSA-N
XLogP1.57
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole (CID 31981427) is 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole is Cc1csc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is JQPHRJAPQNXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-10-9-18-12(15-10)17-7-5-16(6-8-17)11-13-3-2-4-14-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole?
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 261.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 31981427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).