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

C16H23N5S — CID 133272943

IUPAC4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C16H23N5S/c1-4-16-19-14(11-22-16)10-20-5-7-21(8-6-20)15-9-12(2)17-13(3)18-15/h9,11H,4-8,10H2,1-3H3
InChIKeyGSUMCROKJHAYSV-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.43
Rot. Bonds4

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

4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (PubChem CID 133272943) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
PubChem CID133272943
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C16H23N5S/c1-4-16-19-14(11-22-16)10-20-5-7-21(8-6-20)15-9-12(2)17-13(3)18-15/h9,11H,4-8,10H2,1-3H3
InChIKeyGSUMCROKJHAYSV-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 133272930
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272934
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272924
5-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 86868254
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-5-nitrobenzonitrile
CID 133272917

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (CID 133272943) is 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is CCc1nc(CN2CCN(c3cc(C)nc(C)n3)CC2)cs1.
What is the InChIKey of 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The InChIKey is GSUMCROKJHAYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-4-16-19-14(11-22-16)10-20-5-7-21(8-6-20)15-9-12(2)17-13(3)18-15/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 133272943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).