tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate

C25H31N3O5S2 — CID 131985319

IUPACtert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
SMILESCC(Oc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2s1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H31N3O5S2/c1-16(17-12-14-28(15-13-17)24(29)33-25(2,3)4)32-23-27-21-11-10-20(26-22(21)34-23)18-6-8-19(9-7-18)35(5,30)31/h6-11,16-17H,12-15H2,1-5H3
InChIKeyVKKSZNBLAKKTKB-UHFFFAOYSA-N
MW517.67 g/mol
LogP5.18
Rot. Bonds5

About tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate

tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate (PubChem CID 131985319) has the molecular formula C25H31N3O5S2 and a molecular weight of 517.67 g/mol. Its IUPAC name is tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
PubChem CID131985319
Molecular FormulaC25H31N3O5S2
Molecular Weight517.67 g/mol
Exact Mass517.17
IUPAC Nametert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
SMILESCC(Oc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2s1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H31N3O5S2/c1-16(17-12-14-28(15-13-17)24(29)33-25(2,3)4)32-23-27-21-11-10-20(26-22(21)34-23)18-6-8-19(9-7-18)35(5,30)31/h6-11,16-17H,12-15H2,1-5H3
InChIKeyVKKSZNBLAKKTKB-UHFFFAOYSA-N
XLogP5.18
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985275
5-(4-methylsulfonylphenyl)-2-[1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985167
ethane;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 145380286
[4-[2-[1-(1-propan-2-yloxycarbonylpiperidin-4-yl)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]methanesulfinate
CID 146315223
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
5-bromo-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;(4-methylsulfonylphenyl)boronic acid;5-(4-methylsulfonylphenyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 158471195
tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methylamino]piperidine-1-carboxylate
CID 25101393
5-bromo-2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine;(4-methylsulfonylphenyl)boronic acid
CID 159839903
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
tert-butyl 4-[(S)-(4-methylsulfonylphenyl)-phenylmethyl]piperidine-1-carboxylate
CID 155162949
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985248

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate (CID 131985319) is tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate is CC(Oc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2s1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The InChIKey is VKKSZNBLAKKTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S2/c1-16(17-12-14-28(15-13-17)24(29)33-25(2,3)4)32-23-27-21-11-10-20(26-22(21)34-23)18-6-8-19(9-7-18)35(5,30)31/h6-11,16-17H,12-15H2,1-5H3.
What are the key properties of tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate has a molecular weight of 517.67 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 131985319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).