N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C20H21BrN4O2S — CID 20952197

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C20H21BrN4O2S/c1-27-17-7-6-15(21)10-14(17)11-23-18(26)13-4-3-9-25(12-13)20-24-16-5-2-8-22-19(16)28-20/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,23,26)
InChIKeyAQJUEPISEIVIHC-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.00
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 20952197) has the molecular formula C20H21BrN4O2S and a molecular weight of 461.39 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID20952197
Molecular FormulaC20H21BrN4O2S
Molecular Weight461.39 g/mol
Exact Mass460.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C20H21BrN4O2S/c1-27-17-7-6-15(21)10-14(17)11-23-18(26)13-4-3-9-25(12-13)20-24-16-5-2-8-22-19(16)28-20/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,23,26)
InChIKeyAQJUEPISEIVIHC-UHFFFAOYSA-N
XLogP4.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117289
(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117345
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328224
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53034430
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
N-[2-(2-methylphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952200
(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 20952197) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is COc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3cccnc3s2)C1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is AQJUEPISEIVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2S/c1-27-17-7-6-15(21)10-14(17)11-23-18(26)13-4-3-9-25(12-13)20-24-16-5-2-8-22-19(16)28-20/h2,5-8,10,13H,3-4,9,11-12H2,1H3,(H,23,26).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20952197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).