2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C23H33N5OS — CID 110093792

IUPAC2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(Nc2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)sc1C
InChIInChI=1S/C23H33N5OS/c1-16-7-13-28(14-8-16)22(29)15-27-11-9-19(10-12-27)20-5-4-6-21(25-20)26-23-24-17(2)18(3)30-23/h4-6,16,19H,7-15H2,1-3H3,(H,24,25,26)
InChIKeyNGBRAFYWXBCYBC-UHFFFAOYSA-N
MW427.62 g/mol
LogP4.34
Rot. Bonds5

About 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110093792) has the molecular formula C23H33N5OS and a molecular weight of 427.62 g/mol. Its IUPAC name is 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110093792
Molecular FormulaC23H33N5OS
Molecular Weight427.62 g/mol
Exact Mass427.24
IUPAC Name2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(Nc2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)sc1C
InChIInChI=1S/C23H33N5OS/c1-16-7-13-28(14-8-16)22(29)15-27-11-9-19(10-12-27)20-5-4-6-21(25-20)26-23-24-17(2)18(3)30-23/h4-6,16,19H,7-15H2,1-3H3,(H,24,25,26)
InChIKeyNGBRAFYWXBCYBC-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110265474
1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127249718
1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094098
1-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125016718
2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110095864
2-[(2S)-2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 124947455
2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 110092972
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124966125
1-[(3R)-3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 124970242
3-[2-[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 110265209
cyclopentyl-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 127244684
1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 110093792) is 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc(Nc2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)sc1C.
What is the InChIKey of 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is NGBRAFYWXBCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS/c1-16-7-13-28(14-8-16)22(29)15-27-11-9-19(10-12-27)20-5-4-6-21(25-20)26-23-24-17(2)18(3)30-23/h4-6,16,19H,7-15H2,1-3H3,(H,24,25,26).
What are the key properties of 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 427.62 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110093792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).