imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

C30H31N5O2S — CID 45211254

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccc(OCC2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1
InChIInChI=1S/C30H31N5O2S/c1-33(18-23-9-10-27-25(15-23)7-3-11-31-27)17-22-5-2-8-26(16-22)37-21-24-6-4-12-34(19-24)29(36)28-20-35-13-14-38-30(35)32-28/h2-3,5,7-11,13-16,20,24H,4,6,12,17-19,21H2,1H3
InChIKeyJVKNKOPNXQFBIQ-UHFFFAOYSA-N
MW525.68 g/mol
LogP5.51
Rot. Bonds8

About imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 45211254) has the molecular formula C30H31N5O2S and a molecular weight of 525.68 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID45211254
Molecular FormulaC30H31N5O2S
Molecular Weight525.68 g/mol
Exact Mass525.22
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccc(OCC2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1
InChIInChI=1S/C30H31N5O2S/c1-33(18-23-9-10-27-25(15-23)7-3-11-31-27)17-22-5-2-8-26(16-22)37-21-24-6-4-12-34(19-24)29(36)28-20-35-13-14-38-30(35)32-28/h2-3,5,7-11,13-16,20,24H,4,6,12,17-19,21H2,1H3
InChIKeyJVKNKOPNXQFBIQ-UHFFFAOYSA-N
XLogP5.51
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 45236897
2-(1,3-benzodioxol-5-yl)-1-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]ethanone
CID 45191026
(3-fluorophenyl)-[(3R)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42368051
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
cyclohexyl-[(3S)-3-[[3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42499458
[3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 45227605
[(3R)-3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 42471308
[(3S)-3-[[4-[[methyl(2-phenylethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 125156488
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
N-[[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 131942524
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone (CID 45211254) is imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is CN(Cc1cccc(OCC2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is JVKNKOPNXQFBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2S/c1-33(18-23-9-10-27-25(15-23)7-3-11-31-27)17-22-5-2-8-26(16-22)37-21-24-6-4-12-34(19-24)29(36)28-20-35-13-14-38-30(35)32-28/h2-3,5,7-11,13-16,20,24H,4,6,12,17-19,21H2,1H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 525.68 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[3-[[methyl(quinolin-6-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45211254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).