1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C16H20N4OS — CID 95845725

IUPAC1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cncc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-11-8-17-9-15(18-11)13-3-5-20(6-4-13)16(21)7-14-10-22-12(2)19-14/h8-10,13H,3-7H2,1-2H3
InChIKeyQZQNUNRPCVVXIY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.50
Rot. Bonds3

About 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 95845725) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID95845725
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cncc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-11-8-17-9-15(18-11)13-3-5-20(6-4-13)16(21)7-14-10-22-12(2)19-14/h8-10,13H,3-7H2,1-2H3
InChIKeyQZQNUNRPCVVXIY-UHFFFAOYSA-N
XLogP2.50
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3S)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844058
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844059
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110106854
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46992967
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124966703

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 95845725) is 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1cncc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1.
What is the InChIKey of 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QZQNUNRPCVVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-8-17-9-15(18-11)13-3-5-20(6-4-13)16(21)7-14-10-22-12(2)19-14/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 95845725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).