7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole

C18H21N3S — CID 125001367

IUPAC7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCCCN2Cc2ccccc2)c2sccn12
InChIInChI=1S/C18H21N3S/c1-14-19-17(18-21(14)11-12-22-18)16-9-5-6-10-20(16)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3/t16-/m1/s1
InChIKeySCUHFIISFIPKKW-MRXNPFEDSA-N
MW311.45 g/mol
LogP4.43
Rot. Bonds3

About 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole

7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole (PubChem CID 125001367) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole
PubChem CID125001367
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCCCN2Cc2ccccc2)c2sccn12
InChIInChI=1S/C18H21N3S/c1-14-19-17(18-21(14)11-12-22-18)16-9-5-6-10-20(16)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3/t16-/m1/s1
InChIKeySCUHFIISFIPKKW-MRXNPFEDSA-N
XLogP4.43
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
CID 124962092
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
1-benzyl-2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]piperidine
CID 72904678
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-(1-benzylpiperidin-2-yl)-2-tert-butylsulfanylpyridine
CID 102542247
3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3613335
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole?
The IUPAC name of 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole (CID 125001367) is 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole is Cc1nc([C@H]2CCCCN2Cc2ccccc2)c2sccn12.
What is the InChIKey of 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole?
The InChIKey is SCUHFIISFIPKKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3S/c1-14-19-17(18-21(14)11-12-22-18)16-9-5-6-10-20(16)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3/t16-/m1/s1.
What are the key properties of 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole?
7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole has a molecular weight of 311.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 125001367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).