2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

C19H20N6OS — CID 108810128

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H20N6OS/c26-18(11-14-13-27-19-20-5-6-25(14)19)24-9-7-23(8-10-24)17-12-21-15-3-1-2-4-16(15)22-17/h1-4,12-13H,5-11H2
InChIKeyGKXCQXCLMPWHMG-UHFFFAOYSA-N
MW380.48 g/mol
LogP1.93
Rot. Bonds3

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108810128) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
PubChem CID108810128
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H20N6OS/c26-18(11-14-13-27-19-20-5-6-25(14)19)24-9-7-23(8-10-24)17-12-21-15-3-1-2-4-16(15)22-17/h1-4,12-13H,5-11H2
InChIKeyGKXCQXCLMPWHMG-UHFFFAOYSA-N
XLogP1.93
TPSA64.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741428
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (CID 108810128) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is O=C(CC1=CSC2=NCCN12)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GKXCQXCLMPWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c26-18(11-14-13-27-19-20-5-6-25(14)19)24-9-7-23(8-10-24)17-12-21-15-3-1-2-4-16(15)22-17/h1-4,12-13H,5-11H2.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 380.48 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108810128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).