2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

C22H22N4OS — CID 28697661

IUPAC2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2ccc(CN3CCN(c4nc5ccccc5s4)CC3)nc12
InChIInChI=1S/C22H22N4OS/c1-27-19-7-4-5-16-9-10-17(23-21(16)19)15-25-11-13-26(14-12-25)22-24-18-6-2-3-8-20(18)28-22/h2-10H,11-15H2,1H3
InChIKeyCERNCJIIHUBTPN-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.18
Rot. Bonds4

About 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 28697661) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID28697661
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2ccc(CN3CCN(c4nc5ccccc5s4)CC3)nc12
InChIInChI=1S/C22H22N4OS/c1-27-19-7-4-5-16-9-10-17(23-21(16)19)15-25-11-13-26(14-12-25)22-24-18-6-2-3-8-20(18)28-22/h2-10H,11-15H2,1H3
InChIKeyCERNCJIIHUBTPN-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
CID 3240147
2-Methyl-1-pyridin-4-yl-6-(quinolin-2-ylmethoxy)imidazo[2,1-b][1,3]benzothiazole
CID 72724772
2-[4-(4-Methoxybenzyl)piperazino]-1,3-benzothiazole
CID 1484929
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxy-1,3-benzothiazol-2-amine
CID 162664279
2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-benzothiazole
CID 9974462
2-(4-(2-Methoxyphenyl)piperazin-1-yl)benzo[d]thiazole
CID 10471573
2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-8-methoxyquinazoline-2,4-diamine
CID 49852185
2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methoxybenzo[d]thiazole
CID 6622182
2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methoxy-7-methylbenzo[d]thiazole
CID 7110148
2-Methyl-4-(2-methylquinolin-8-yl)oxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 1228656
4-Methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole
CID 6622108
4-Methoxy-2-(4-phenylpiperazin-1-yl)-1,3-benzothiazole
CID 7086362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (CID 28697661) is 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is COc1cccc2ccc(CN3CCN(c4nc5ccccc5s4)CC3)nc12.
What is the InChIKey of 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is CERNCJIIHUBTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-27-19-7-4-5-16-9-10-17(23-21(16)19)15-25-11-13-26(14-12-25)22-24-18-6-2-3-8-20(18)28-22/h2-10H,11-15H2,1H3.
What are the key properties of 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 390.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 28697661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).