1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

C26H26N6O2S2 — CID 24995592

IUPAC1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc(Nc3cc(Oc4cccnc4C)c(Sc4ccccn4)cn3)n2)CC1
InChIInChI=1S/C26H26N6O2S2/c1-17-21(6-5-11-27-17)34-22-14-24(29-15-23(22)36-25-7-3-4-10-28-25)31-26-30-20(16-35-26)19-8-12-32(13-9-19)18(2)33/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,29,30,31)
InChIKeyWINDEZCBVOEHMC-UHFFFAOYSA-N
MW518.67 g/mol
LogP6.05
Rot. Bonds7

About 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 24995592) has the molecular formula C26H26N6O2S2 and a molecular weight of 518.67 g/mol. Its IUPAC name is 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
PubChem CID24995592
Molecular FormulaC26H26N6O2S2
Molecular Weight518.67 g/mol
Exact Mass518.16
IUPAC Name1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2csc(Nc3cc(Oc4cccnc4C)c(Sc4ccccn4)cn3)n2)CC1
InChIInChI=1S/C26H26N6O2S2/c1-17-21(6-5-11-27-17)34-22-14-24(29-15-23(22)36-25-7-3-4-10-28-25)31-26-30-20(16-35-26)19-8-12-32(13-9-19)18(2)33/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,29,30,31)
InChIKeyWINDEZCBVOEHMC-UHFFFAOYSA-N
XLogP6.05
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.67
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylic acid
CID 67487907
tert-butyl 4-[2-[[5-bromo-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 86640988
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
1-[4-[2-[[4-(2,6-dimethylphenyl)sulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 163756784
1-[4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(2-methyl-3-pyridinyl)sulfanyl]-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone
CID 59291724
2-methoxy-1-[4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 68710758
1-[3-methyl-4-[2-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 87228674
1-[4-[2-[[3-(4-fluorophenoxy)-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 59291761
2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
CID 95823889
1-[4-[2-[[5-(3-methylimidazo[4,5-b]pyridin-7-yl)sulfanyl-3-phenoxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 59291790
1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
CID 59443647
4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 67487949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (CID 24995592) is 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2csc(Nc3cc(Oc4cccnc4C)c(Sc4ccccn4)cn3)n2)CC1.
What is the InChIKey of 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is WINDEZCBVOEHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S2/c1-17-21(6-5-11-27-17)34-22-14-24(29-15-23(22)36-25-7-3-4-10-28-25)31-26-30-20(16-35-26)19-8-12-32(13-9-19)18(2)33/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,29,30,31).
What are the key properties of 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 518.67 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24995592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).