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

C19H26N4O2S — CID 29087112

IUPAC2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)o1
InChIInChI=1S/C19H26N4O2S/c1-14-3-4-17(25-14)12-22-7-6-21(11-16(22)5-9-24)13-18-15(2)20-19-23(18)8-10-26-19/h3-4,8,10,16,24H,5-7,9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyCHXUKAZFJOXBPL-INIZCTEOSA-N
MW374.51 g/mol
LogP2.67
Rot. Bonds6

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

2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29087112) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29087112
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)o1
InChIInChI=1S/C19H26N4O2S/c1-14-3-4-17(25-14)12-22-7-6-21(11-16(22)5-9-24)13-18-15(2)20-19-23(18)8-10-26-19/h3-4,8,10,16,24H,5-7,9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyCHXUKAZFJOXBPL-INIZCTEOSA-N
XLogP2.67
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 29087112) is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)o1.
What is the InChIKey of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is CHXUKAZFJOXBPL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-3-4-17(25-14)12-22-7-6-21(11-16(22)5-9-24)13-18-15(2)20-19-23(18)8-10-26-19/h3-4,8,10,16,24H,5-7,9,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 374.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29087112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).