1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C24H26N4O3S2 — CID 15943388

IUPAC1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)ccc21
InChIInChI=1S/C24H26N4O3S2/c1-17-3-5-19(6-4-17)22-16-32-24(25-22)26-11-13-27(14-12-26)33(30,31)21-7-8-23-20(15-21)9-10-28(23)18(2)29/h3-8,15-16H,9-14H2,1-2H3
InChIKeyAXPXAKXAWBLDDB-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.54
Rot. Bonds4

About 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 15943388) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID15943388
Molecular FormulaC24H26N4O3S2
Molecular Weight482.63 g/mol
Exact Mass482.14
IUPAC Name1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)ccc21
InChIInChI=1S/C24H26N4O3S2/c1-17-3-5-19(6-4-17)22-16-32-24(25-22)26-11-13-27(14-12-26)33(30,31)21-7-8-23-20(15-21)9-10-28(23)18(2)29/h3-8,15-16H,9-14H2,1-2H3
InChIKeyAXPXAKXAWBLDDB-UHFFFAOYSA-N
XLogP3.54
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141146332
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 122279785
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole;2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 157388900
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
4-(3,5-dichlorophenyl)-2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3,5-dimethylphenyl)-1,3-thiazole
CID 158267461
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-sulfonic acid
CID 11245838
(4-methylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526945

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 15943388) is 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AXPXAKXAWBLDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c1-17-3-5-19(6-4-17)22-16-32-24(25-22)26-11-13-27(14-12-26)33(30,31)21-7-8-23-20(15-21)9-10-28(23)18(2)29/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 482.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 15943388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).