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

C23H24N4OS — CID 141146332

IUPAC1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)ccc21
InChIInChI=1S/C23H24N4OS/c1-17(28)27-10-9-19-15-20(7-8-22(19)27)25-11-13-26(14-12-25)23-24-21(16-29-23)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3
InChIKeyDODMFTBBLPKDSF-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.05
Rot. Bonds3

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

1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 141146332) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID141146332
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)ccc21
InChIInChI=1S/C23H24N4OS/c1-17(28)27-10-9-19-15-20(7-8-22(19)27)25-11-13-26(14-12-25)23-24-21(16-29-23)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3
InChIKeyDODMFTBBLPKDSF-UHFFFAOYSA-N
XLogP4.05
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 15943388
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
1-[5-(4-benzylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone;1-(6-piperazin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 161177802
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone (CID 141146332) is 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DODMFTBBLPKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-17(28)27-10-9-19-15-20(7-8-22(19)27)25-11-13-26(14-12-25)23-24-21(16-29-23)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 404.54 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 141146332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).