1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide

C20H23ClN4OS — CID 86931065

IUPAC1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1
InChIInChI=1S/C20H23ClN4OS/c1-2-22-19(26)15-7-9-24(10-8-15)13-17-18(14-3-5-16(21)6-4-14)23-20-25(17)11-12-27-20/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26)
InChIKeyMBIXTMSNAREJHO-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.06
Rot. Bonds5

About 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide

1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 86931065) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID86931065
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1
InChIInChI=1S/C20H23ClN4OS/c1-2-22-19(26)15-7-9-24(10-8-15)13-17-18(14-3-5-16(21)6-4-14)23-20-25(17)11-12-27-20/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26)
InChIKeyMBIXTMSNAREJHO-UHFFFAOYSA-N
XLogP4.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide with MolForge

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Related Compounds

ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 31405483
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 126787896
(3S,4S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120646
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
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122100367
ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide (CID 86931065) is 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1.
What is the InChIKey of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is MBIXTMSNAREJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-2-22-19(26)15-7-9-24(10-8-15)13-17-18(14-3-5-16(21)6-4-14)23-20-25(17)11-12-27-20/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26).
What are the key properties of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide?
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 402.95 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 86931065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).