6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

C26H32N4O2S — CID 10766575

IUPAC6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4c(n3)SCC4)cc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,20H,4-5,12-19H2,1H3
InChIKeyLBOZKVKBJGHTTI-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.65
Rot. Bonds9

About 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 10766575) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID10766575
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4c(n3)SCC4)cc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,20H,4-5,12-19H2,1H3
InChIKeyLBOZKVKBJGHTTI-UHFFFAOYSA-N
XLogP4.65
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (CID 10766575) is 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4c(n3)SCC4)cc2)CC1.
What is the InChIKey of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LBOZKVKBJGHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,20H,4-5,12-19H2,1H3.
What are the key properties of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 464.64 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 10766575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).