ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate

C20H23N3O2S — CID 24593743

IUPACethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1
InChIInChI=1S/C20H23N3O2S/c1-2-25-19(24)16-9-6-10-22(13-16)14-17-18(15-7-4-3-5-8-15)21-20-23(17)11-12-26-20/h3-5,7-8,11-12,16H,2,6,9-10,13-14H2,1H3
InChIKeyIHYMLPJJJDTKEI-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.84
Rot. Bonds5

About ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate

ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 24593743) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
PubChem CID24593743
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Nameethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1
InChIInChI=1S/C20H23N3O2S/c1-2-25-19(24)16-9-6-10-22(13-16)14-17-18(15-7-4-3-5-8-15)21-20-23(17)11-12-26-20/h3-5,7-8,11-12,16H,2,6,9-10,13-14H2,1H3
InChIKeyIHYMLPJJJDTKEI-UHFFFAOYSA-N
XLogP3.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
ethyl (3S)-1-(1,3-benzoxazol-2-ylmethyl)piperidine-3-carboxylate
CID 81338545
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
ethyl (3S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylate
CID 81339531
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
methyl (3S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 79046296
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl 1-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 2838657
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate (CID 24593743) is ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1.
What is the InChIKey of ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is IHYMLPJJJDTKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-25-19(24)16-9-6-10-22(13-16)14-17-18(15-7-4-3-5-8-15)21-20-23(17)11-12-26-20/h3-5,7-8,11-12,16H,2,6,9-10,13-14H2,1H3.
What are the key properties of ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 24593743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).