ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate

C23H29N3O3S — CID 42596568

IUPACethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nc3sccn23)CC1
InChIInChI=1S/C23H29N3O3S/c1-4-29-21(27)23(15-18-6-5-7-19(14-18)28-3)8-10-25(11-9-23)16-20-17(2)24-22-26(20)12-13-30-22/h5-7,12-14H,4,8-11,15-16H2,1-3H3
InChIKeyKXFSMHZWXFVHNK-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.10
Rot. Bonds7

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

ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 42596568) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID42596568
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Nameethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nc3sccn23)CC1
InChIInChI=1S/C23H29N3O3S/c1-4-29-21(27)23(15-18-6-5-7-19(14-18)28-3)8-10-25(11-9-23)16-20-17(2)24-22-26(20)12-13-30-22/h5-7,12-14H,4,8-11,15-16H2,1-3H3
InChIKeyKXFSMHZWXFVHNK-UHFFFAOYSA-N
XLogP4.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25455542
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 51903545
ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate
CID 74825594
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 42395681
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidine-3-carboxylate
CID 25371111
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42345116
N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463128
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate
CID 45180380
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 42217106
(2-methoxyphenyl)-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56902651
ethyl (3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25453470
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25371387

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate (CID 42596568) is ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nc3sccn23)CC1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is KXFSMHZWXFVHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-29-21(27)23(15-18-6-5-7-19(14-18)28-3)8-10-25(11-9-23)16-20-17(2)24-22-26(20)12-13-30-22/h5-7,12-14H,4,8-11,15-16H2,1-3H3.
What are the key properties of ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate?
ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 427.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 42596568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).