1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone

C24H27ClN4OS — CID 11719456

IUPAC1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CCCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21
InChIInChI=1S/C24H27ClN4OS/c1-17(30)29-10-8-19-15-18(21(25)16-22(19)29)5-4-9-27-11-13-28(14-12-27)24-20-6-2-3-7-23(20)31-26-24/h2-3,6-7,15-16H,4-5,8-14H2,1H3
InChIKeyOQIULKLXMUHIOO-UHFFFAOYSA-N
MW455.03 g/mol
LogP4.61
Rot. Bonds5

About 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone

1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone (PubChem CID 11719456) has the molecular formula C24H27ClN4OS and a molecular weight of 455.03 g/mol. Its IUPAC name is 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone
PubChem CID11719456
Molecular FormulaC24H27ClN4OS
Molecular Weight455.03 g/mol
Exact Mass454.16
IUPAC Name1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(CCCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21
InChIInChI=1S/C24H27ClN4OS/c1-17(30)29-10-8-19-15-18(21(25)16-22(19)29)5-4-9-27-11-13-28(14-12-27)24-20-6-2-3-7-23(20)31-26-24/h2-3,6-7,15-16H,4-5,8-14H2,1H3
InChIKeyOQIULKLXMUHIOO-UHFFFAOYSA-N
XLogP4.61
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.03
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone (CID 11719456) is 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(CCCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.
What is the InChIKey of 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is OQIULKLXMUHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4OS/c1-17(30)29-10-8-19-15-18(21(25)16-22(19)29)5-4-9-27-11-13-28(14-12-27)24-20-6-2-3-7-23(20)31-26-24/h2-3,6-7,15-16H,4-5,8-14H2,1H3.
What are the key properties of 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone?
1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 455.03 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-6-chloro-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 11719456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).