5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one

C23H26N4OS — CID 10645038

IUPAC5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21
InChIInChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3
InChIKeyUDHCGLWDZIOGOU-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.57
Rot. Bonds5

About 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one (PubChem CID 10645038) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one
PubChem CID10645038
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21
InChIInChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3
InChIKeyUDHCGLWDZIOGOU-UHFFFAOYSA-N
XLogP3.57
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
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]-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one (CID 10645038) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21.
What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one?
The InChIKey is UDHCGLWDZIOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3.
What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one?
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1-ethyl-3H-indol-2-one has a molecular weight of 406.56 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 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]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 10645038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).