6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole

C17H18N4OS — CID 166363584

IUPAC6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(CN3CCN(C)c4ccncc43)sc2c1
InChIInChI=1S/C17H18N4OS/c1-20-7-8-21(15-10-18-6-5-14(15)20)11-17-19-13-4-3-12(22-2)9-16(13)23-17/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyMLTBUTMTGUBDEG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.16
Rot. Bonds3

About 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole

6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole (PubChem CID 166363584) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole
PubChem CID166363584
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(CN3CCN(C)c4ccncc43)sc2c1
InChIInChI=1S/C17H18N4OS/c1-20-7-8-21(15-10-18-6-5-14(15)20)11-17-19-13-4-3-12(22-2)9-16(13)23-17/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyMLTBUTMTGUBDEG-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole with MolForge

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Related Compounds

1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-methoxy-2-[[(3S)-3-methoxypiperidin-1-yl]methyl]-1,3-benzothiazole
CID 164640107
(3R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-3-amine
CID 120845980
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769521
1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 154862464
6-methoxy-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120834995
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole (CID 166363584) is 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole is COc1ccc2nc(CN3CCN(C)c4ccncc43)sc2c1.
What is the InChIKey of 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole?
The InChIKey is MLTBUTMTGUBDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20-7-8-21(15-10-18-6-5-14(15)20)11-17-19-13-4-3-12(22-2)9-16(13)23-17/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole?
6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole has a molecular weight of 326.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 166363584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).