5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one

C25H28N4OS — CID 10550699

IUPAC5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2
InChIInChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)
InChIKeyXWIUHFACKJAQHA-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.42
Rot. Bonds4

About 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 10550699) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one
PubChem CID10550699
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2
InChIInChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)
InChIKeyXWIUHFACKJAQHA-UHFFFAOYSA-N
XLogP4.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one (CID 10550699) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one is O=C1Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C12CCCC2.
What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The InChIKey is XWIUHFACKJAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30).
What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 432.59 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 10550699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).