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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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).