4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole

C18H20N4S — CID 121083589

IUPAC4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C18H20N4S/c1-13-11-14(2)17-15(12-13)23-18(20-17)22-9-7-21(8-10-22)16-5-3-4-6-19-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYDMHBQSLNUKYRI-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.63
Rot. Bonds2

About 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole

4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 121083589) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID121083589
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C18H20N4S/c1-13-11-14(2)17-15(12-13)23-18(20-17)22-9-7-21(8-10-22)16-5-3-4-6-19-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYDMHBQSLNUKYRI-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
CID 163345219
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083550
6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 163348324
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588
2-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 41116552
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
CID 138054597

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole (CID 121083589) is 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole is Cc1cc(C)c2nc(N3CCN(c4ccccn4)CC3)sc2c1.
What is the InChIKey of 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is YDMHBQSLNUKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-11-14(2)17-15(12-13)23-18(20-17)22-9-7-21(8-10-22)16-5-3-4-6-19-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 324.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 121083589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).