2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone

C17H18N4OS — CID 39161884

IUPAC2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCNCC1
InChIInChI=1S/C17H18N4OS/c22-16(20-8-6-18-7-9-20)10-14-12-23-17-19-15(11-21(14)17)13-4-2-1-3-5-13/h1-5,11-12,18H,6-10H2
InChIKeyBDTRCFQPDVMEOR-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.04
Rot. Bonds3

About 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 39161884) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
PubChem CID39161884
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCNCC1
InChIInChI=1S/C17H18N4OS/c22-16(20-8-6-18-7-9-20)10-14-12-23-17-19-15(11-21(14)17)13-4-2-1-3-5-13/h1-5,11-12,18H,6-10H2
InChIKeyBDTRCFQPDVMEOR-UHFFFAOYSA-N
XLogP2.04
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 27377025
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 29044557
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 55461597
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 30939691
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone (CID 39161884) is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone is O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCNCC1.
What is the InChIKey of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is BDTRCFQPDVMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-16(20-8-6-18-7-9-20)10-14-12-23-17-19-15(11-21(14)17)13-4-2-1-3-5-13/h1-5,11-12,18H,6-10H2.
What are the key properties of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone?
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 326.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 39161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).