6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole

C19H22N4O2S — CID 66797287

IUPAC6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCNCC3COc3ccc(C)nc3)sc2c1
InChIInChI=1S/C19H22N4O2S/c1-13-3-4-16(11-21-13)25-12-14-10-20-7-8-23(14)19-22-17-6-5-15(24-2)9-18(17)26-19/h3-6,9,11,14,20H,7-8,10,12H2,1-2H3
InChIKeyAYQIMHBFVLZWKB-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.87
Rot. Bonds5

About 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole

6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 66797287) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID66797287
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCNCC3COc3ccc(C)nc3)sc2c1
InChIInChI=1S/C19H22N4O2S/c1-13-3-4-16(11-21-13)25-12-14-10-20-7-8-23(14)19-22-17-6-5-15(24-2)9-18(17)26-19/h3-6,9,11,14,20H,7-8,10,12H2,1-2H3
InChIKeyAYQIMHBFVLZWKB-UHFFFAOYSA-N
XLogP2.87
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole (CID 66797287) is 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole is COc1ccc2nc(N3CCNCC3COc3ccc(C)nc3)sc2c1.
What is the InChIKey of 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is AYQIMHBFVLZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-3-4-16(11-21-13)25-12-14-10-20-7-8-23(14)19-22-17-6-5-15(24-2)9-18(17)26-19/h3-6,9,11,14,20H,7-8,10,12H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole?
6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 370.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 66797287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).