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

C24H29N3O5S2 — CID 131985275

IUPACpropan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(C)Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3s2)CC1
InChIInChI=1S/C24H29N3O5S2/c1-15(2)31-24(28)27-13-11-17(12-14-27)16(3)32-23-26-21-10-9-20(25-22(21)33-23)18-5-7-19(8-6-18)34(4,29)30/h5-10,15-17H,11-14H2,1-4H3
InChIKeyRLAVWILBIGTRDF-UHFFFAOYSA-N
MW503.65 g/mol
LogP4.79
Rot. Bonds6

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

propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate (PubChem CID 131985275) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
PubChem CID131985275
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC Namepropan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(C)Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3s2)CC1
InChIInChI=1S/C24H29N3O5S2/c1-15(2)31-24(28)27-13-11-17(12-14-27)16(3)32-23-26-21-10-9-20(25-22(21)33-23)18-5-7-19(8-6-18)34(4,29)30/h5-10,15-17H,11-14H2,1-4H3
InChIKeyRLAVWILBIGTRDF-UHFFFAOYSA-N
XLogP4.79
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985319
[4-[2-[1-(1-propan-2-yloxycarbonylpiperidin-4-yl)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]methanesulfinate
CID 146315223
5-(4-methylsulfonylphenyl)-2-[1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
CID 131985167
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
ethane;2-[1-[1-(5-ethenyl-2-pyridinyl)piperidin-4-yl]ethoxy]-5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 145380286
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
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
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
propan-2-yl 4-[[methyl-[5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-carboxylate
CID 71657468
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 propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate (CID 131985275) is propan-2-yl 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 propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C(C)Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3s2)CC1.
What is the InChIKey of propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
The InChIKey is RLAVWILBIGTRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S2/c1-15(2)31-24(28)27-13-11-17(12-14-27)16(3)32-23-26-21-10-9-20(25-22(21)33-23)18-5-7-19(8-6-18)34(4,29)30/h5-10,15-17H,11-14H2,1-4H3.
What are the key properties of propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate?
propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate has a molecular weight of 503.65 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 131985275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).