2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole

C16H22N4S — CID 86792052

IUPAC2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(C2CCCN(c3nc(C)cnc3C)C2)n1
InChIInChI=1S/C16H22N4S/c1-4-14-10-21-16(19-14)13-6-5-7-20(9-13)15-12(3)17-8-11(2)18-15/h8,10,13H,4-7,9H2,1-3H3
InChIKeyMBQFQMFRACKCTK-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.50
Rot. Bonds3

About 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole

2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole (PubChem CID 86792052) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
PubChem CID86792052
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(C2CCCN(c3nc(C)cnc3C)C2)n1
InChIInChI=1S/C16H22N4S/c1-4-14-10-21-16(19-14)13-6-5-7-20(9-13)15-12(3)17-8-11(2)18-15/h8,10,13H,4-7,9H2,1-3H3
InChIKeyMBQFQMFRACKCTK-UHFFFAOYSA-N
XLogP3.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 136568507
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
4-methyl-2-(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-3-yl)-1,3-thiazole
CID 133301256
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95768087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole?
The IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole (CID 86792052) is 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole is CCc1csc(C2CCCN(c3nc(C)cnc3C)C2)n1.
What is the InChIKey of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole?
The InChIKey is MBQFQMFRACKCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-4-14-10-21-16(19-14)13-6-5-7-20(9-13)15-12(3)17-8-11(2)18-15/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole?
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole has a molecular weight of 302.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole is sourced from PubChem (CID 86792052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).