1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C19H22N4O3S2 — CID 27514609

IUPAC1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1
InChIInChI=1S/C19H22N4O3S2/c1-14-3-4-15(2)17(11-14)28(25,26)23-7-5-21(6-8-23)18(24)12-16-13-22-9-10-27-19(22)20-16/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyQJIBMWAYIRXEAJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 27514609) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID27514609
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1
InChIInChI=1S/C19H22N4O3S2/c1-14-3-4-15(2)17(11-14)28(25,26)23-7-5-21(6-8-23)18(24)12-16-13-22-9-10-27-19(22)20-16/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyQJIBMWAYIRXEAJ-UHFFFAOYSA-N
XLogP2.09
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8638988
1-(3,4-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 27514748
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
CID 78905037
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18274303

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 27514609) is 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is QJIBMWAYIRXEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-14-3-4-15(2)17(11-14)28(25,26)23-7-5-21(6-8-23)18(24)12-16-13-22-9-10-27-19(22)20-16/h3-4,9-11,13H,5-8,12H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 418.54 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 27514609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).