6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

C18H20N4OS — CID 24803239

IUPAC6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1
InChIInChI=1S/C18H20N4OS/c1-21-7-9-22(10-8-21)17-6-3-13(12-19-17)18-20-15-5-4-14(23-2)11-16(15)24-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZWUFTWOWCWMNQG-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.12
Rot. Bonds3

About 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole

6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 24803239) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID24803239
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1
InChIInChI=1S/C18H20N4OS/c1-21-7-9-22(10-8-21)17-6-3-13(12-19-17)18-20-15-5-4-14(23-2)11-16(15)24-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyZWUFTWOWCWMNQG-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole (CID 24803239) is 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is COc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.
What is the InChIKey of 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is ZWUFTWOWCWMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21-7-9-22(10-8-21)17-6-3-13(12-19-17)18-20-15-5-4-14(23-2)11-16(15)24-18/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole?
6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 340.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 24803239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).