6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C18H21N5OS — CID 163348324

IUPAC6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(C)c2nc(N3CCN(c4ccc(=O)n(C)n4)CC3)sc2c1
InChIInChI=1S/C18H21N5OS/c1-12-10-13(2)17-14(11-12)25-18(19-17)23-8-6-22(7-9-23)15-4-5-16(24)21(3)20-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAVYXNEFBSUXTHP-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.33
Rot. Bonds2

About 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one

6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 163348324) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID163348324
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(C)c2nc(N3CCN(c4ccc(=O)n(C)n4)CC3)sc2c1
InChIInChI=1S/C18H21N5OS/c1-12-10-13(2)17-14(11-12)25-18(19-17)23-8-6-22(7-9-23)15-4-5-16(24)21(3)20-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAVYXNEFBSUXTHP-UHFFFAOYSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
CID 163345219
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one
CID 171690713
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
2-methyl-6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163347818
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
CID 138054597
1-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7539840

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 163348324) is 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one is Cc1cc(C)c2nc(N3CCN(c4ccc(=O)n(C)n4)CC3)sc2c1.
What is the InChIKey of 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is AVYXNEFBSUXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-10-13(2)17-14(11-12)25-18(19-17)23-8-6-22(7-9-23)15-4-5-16(24)21(3)20-15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 355.47 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 163348324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).