1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone

C23H27N5O2S — CID 131906085

IUPAC1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2ccccc2CNCc2csc(-c3cnccn3)n2)CC1
InChIInChI=1S/C23H27N5O2S/c1-17-6-10-28(11-7-17)22(29)15-30-21-5-3-2-4-18(21)12-25-13-19-16-31-23(27-19)20-14-24-8-9-26-20/h2-5,8-9,14,16-17,25H,6-7,10-13,15H2,1H3
InChIKeyAGJUAUASJWHNBN-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.53
Rot. Bonds8

About 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone

1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone (PubChem CID 131906085) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone
PubChem CID131906085
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2ccccc2CNCc2csc(-c3cnccn3)n2)CC1
InChIInChI=1S/C23H27N5O2S/c1-17-6-10-28(11-7-17)22(29)15-30-21-5-3-2-4-18(21)12-25-13-19-16-31-23(27-19)20-14-24-8-9-26-20/h2-5,8-9,14,16-17,25H,6-7,10-13,15H2,1H3
InChIKeyAGJUAUASJWHNBN-UHFFFAOYSA-N
XLogP3.53
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131933582
2-[2-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119123813
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 108536995
ethyl 2-[2-[2-[[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623761
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572
2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547981
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
1-[2-[(2-bromophenyl)methyl]pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 166342179
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone (CID 131906085) is 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone is CC1CCN(C(=O)COc2ccccc2CNCc2csc(-c3cnccn3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone?
The InChIKey is AGJUAUASJWHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-6-10-28(11-7-17)22(29)15-30-21-5-3-2-4-18(21)12-25-13-19-16-31-23(27-19)20-14-24-8-9-26-20/h2-5,8-9,14,16-17,25H,6-7,10-13,15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone?
1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone has a molecular weight of 437.57 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone is sourced from PubChem (CID 131906085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).