5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride

C21H22Cl2N4OS — CID 142685251

IUPAC5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Cc2cc(CCC3CNCCN3c3nsc4ccccc34)c(Cl)cc2N1
InChIInChI=1S/C21H21ClN4OS.ClH/c22-17-11-18-14(10-20(27)24-18)9-13(17)5-6-15-12-23-7-8-26(15)21-16-3-1-2-4-19(16)28-25-21;/h1-4,9,11,15,23H,5-8,10,12H2,(H,24,27);1H
InChIKeyOUFOJPLZXSASAV-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.28
Rot. Bonds4

About 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride

5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 142685251) has the molecular formula C21H22Cl2N4OS and a molecular weight of 449.41 g/mol. Its IUPAC name is 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
PubChem CID142685251
Molecular FormulaC21H22Cl2N4OS
Molecular Weight449.41 g/mol
Exact Mass448.09
IUPAC Name5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Cc2cc(CCC3CNCCN3c3nsc4ccccc34)c(Cl)cc2N1
InChIInChI=1S/C21H21ClN4OS.ClH/c22-17-11-18-14(10-20(27)24-18)9-13(17)5-6-15-12-23-7-8-26(15)21-16-3-1-2-4-19(16)28-25-21;/h1-4,9,11,15,23H,5-8,10,12H2,(H,24,27);1H
InChIKeyOUFOJPLZXSASAV-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one;3-piperazin-1-yl-1,2-benzothiazole
CID 11366451
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 10409574
5-[2-[4-(1,2-benzothiazol-3-ylmethyl)azepan-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 163426988
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;1,2-benzoxazol-3-ylmethanesulfonamide
CID 11962118
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-hydroxy-1,3-dihydroindol-2-one
CID 142020342
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]acetyl]-6-chloro-1,3-dihydroindol-2-one;5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-hydroxyethyl]-6-chloro-1,3-dihydroindol-2-one;3-piperazin-1-yl-1,2-benzothiazole
CID 159593345
1-(1,2-benzothiazol-3-yl)piperazine-2-carboxylic acid
CID 71646320
(2R)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2,3-dihydro-1H-indol-2-ol
CID 59116256
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroinden-2-one;5-chloro-6-propyl-1,3-dihydroinden-2-one;molecular iodine;3-piperazin-1-yl-1,2-benzothiazole;triiodide
CID 159823056
6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride
CID 139642014
3-[(7R,9aS)-7-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole;5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 11480007
[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindol-3-yl] methanesulfonate;trihydrate
CID 91981951

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride (CID 142685251) is 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride is Cl.O=C1Cc2cc(CCC3CNCCN3c3nsc4ccccc34)c(Cl)cc2N1.
What is the InChIKey of 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is OUFOJPLZXSASAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS.ClH/c22-17-11-18-14(10-20(27)24-18)9-13(17)5-6-15-12-23-7-8-26(15)21-16-3-1-2-4-19(16)28-25-21;/h1-4,9,11,15,23H,5-8,10,12H2,(H,24,27);1H.
What are the key properties of 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride?
5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 449.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 142685251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).