ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate

C20H22ClN3O2S — CID 31405483

IUPACethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1
InChIInChI=1S/C20H22ClN3O2S/c1-2-26-19(25)15-4-3-9-23(12-15)13-17-18(14-5-7-16(21)8-6-14)22-20-24(17)10-11-27-20/h5-8,10-11,15H,2-4,9,12-13H2,1H3/t15-/m0/s1
InChIKeyBUIFRLFLWHYRGC-HNNXBMFYSA-N
MW403.94 g/mol
LogP4.49
Rot. Bonds5

About ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate

ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate (PubChem CID 31405483) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
PubChem CID31405483
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Nameethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1
InChIInChI=1S/C20H22ClN3O2S/c1-2-26-19(25)15-4-3-9-23(12-15)13-17-18(14-5-7-16(21)8-6-14)22-20-24(17)10-11-27-20/h5-8,10-11,15H,2-4,9,12-13H2,1H3/t15-/m0/s1
InChIKeyBUIFRLFLWHYRGC-HNNXBMFYSA-N
XLogP4.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 86931065
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
(3S,4S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120646
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 126787896
7-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 166229916
ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 16807449
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl (3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 106995037
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate (CID 31405483) is ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1.
What is the InChIKey of ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate?
The InChIKey is BUIFRLFLWHYRGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-2-26-19(25)15-4-3-9-23(12-15)13-17-18(14-5-7-16(21)8-6-14)22-20-24(17)10-11-27-20/h5-8,10-11,15H,2-4,9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate?
ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate has a molecular weight of 403.94 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 31405483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).