2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

C14H19N5S — CID 100758945

IUPAC2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESCCc1nc(C)cc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5S/c1-3-12-16-11(2)10-13(17-12)18-5-7-19(8-6-18)14-15-4-9-20-14/h4,9-10H,3,5-8H2,1-2H3
InChIKeyMNYYKJZLOQBMTL-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 100758945) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID100758945
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESCCc1nc(C)cc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5S/c1-3-12-16-11(2)10-13(17-12)18-5-7-19(8-6-18)14-15-4-9-20-14/h4,9-10H,3,5-8H2,1-2H3
InChIKeyMNYYKJZLOQBMTL-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492
2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80976129
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30777908
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265
2-ethyl-4-methyl-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 46969861
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 50978711
2-[4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 56909140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (CID 100758945) is 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is CCc1nc(C)cc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is MNYYKJZLOQBMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-3-12-16-11(2)10-13(17-12)18-5-7-19(8-6-18)14-15-4-9-20-14/h4,9-10H,3,5-8H2,1-2H3.
What are the key properties of 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 289.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 100758945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).