2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C17H28N4OS — CID 51902897

IUPAC2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nc2sccn2c1CN1CCN(CC(C)C)[C@H](CCO)C1
InChIInChI=1S/C17H28N4OS/c1-13(2)10-20-6-5-19(11-15(20)4-8-22)12-16-14(3)18-17-21(16)7-9-23-17/h7,9,13,15,22H,4-6,8,10-12H2,1-3H3/t15-/m1/s1
InChIKeyGISXTPNQFUXGMV-OAHLLOKOSA-N
MW336.50 g/mol
LogP2.23
Rot. Bonds6

About 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 51902897) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID51902897
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nc2sccn2c1CN1CCN(CC(C)C)[C@H](CCO)C1
InChIInChI=1S/C17H28N4OS/c1-13(2)10-20-6-5-19(11-15(20)4-8-22)12-16-14(3)18-17-21(16)7-9-23-17/h7,9,13,15,22H,4-6,8,10-12H2,1-3H3/t15-/m1/s1
InChIKeyGISXTPNQFUXGMV-OAHLLOKOSA-N
XLogP2.23
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 51902897) is 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is Cc1nc2sccn2c1CN1CCN(CC(C)C)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is GISXTPNQFUXGMV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13(2)10-20-6-5-19(11-15(20)4-8-22)12-16-14(3)18-17-21(16)7-9-23-17/h7,9,13,15,22H,4-6,8,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 336.50 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51902897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).