3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

C24H30N4S — CID 141087229

IUPAC3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
SMILESCC1CCNc2ccc(CCCN3CCN(c4nsc5ccccc45)CC3)cc21
InChIInChI=1S/C24H30N4S/c1-18-10-11-25-22-9-8-19(17-21(18)22)5-4-12-27-13-15-28(16-14-27)24-20-6-2-3-7-23(20)29-26-24/h2-3,6-9,17-18,25H,4-5,10-16H2,1H3
InChIKeyNGMICQYPZPHLFZ-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.97
Rot. Bonds5

About 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole (PubChem CID 141087229) has the molecular formula C24H30N4S and a molecular weight of 406.60 g/mol. Its IUPAC name is 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
PubChem CID141087229
Molecular FormulaC24H30N4S
Molecular Weight406.60 g/mol
Exact Mass406.22
IUPAC Name3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
SMILESCC1CCNc2ccc(CCCN3CCN(c4nsc5ccccc45)CC3)cc21
InChIInChI=1S/C24H30N4S/c1-18-10-11-25-22-9-8-19(17-21(18)22)5-4-12-27-13-15-28(16-14-27)24-20-6-2-3-7-23(20)29-26-24/h2-3,6-9,17-18,25H,4-5,10-16H2,1H3
InChIKeyNGMICQYPZPHLFZ-UHFFFAOYSA-N
XLogP4.97
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole with MolForge

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Related Compounds

3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
CID 91840906
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3H-1,3-benzoxazol-2-one
CID 10809803
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
3-[4-[4-(3-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 174338775
[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite
CID 139649208
3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 54670950
3-[4-[2-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]-1,2-benzothiazole;methanesulfonic acid;trihydrate
CID 172702111
(2R)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2,3-dihydro-1H-indol-2-ol
CID 59116256
N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
CID 11270474
5'-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1',2,2-trimethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 10072265
1-[7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 11495771
6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 67576238

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The IUPAC name of 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole (CID 141087229) is 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole.
What is the SMILES notation for 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The canonical SMILES for 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole is CC1CCNc2ccc(CCCN3CCN(c4nsc5ccccc45)CC3)cc21.
What is the InChIKey of 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The InChIKey is NGMICQYPZPHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4S/c1-18-10-11-25-22-9-8-19(17-21(18)22)5-4-12-27-13-15-28(16-14-27)24-20-6-2-3-7-23(20)29-26-24/h2-3,6-9,17-18,25H,4-5,10-16H2,1H3.
What are the key properties of 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole has a molecular weight of 406.60 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole is sourced from PubChem (CID 141087229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).