2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole

C19H20ClN3S — CID 121081694

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C19H20ClN3S/c1-13-11-14(2)18-17(12-13)24-19(21-18)23-9-7-22(8-10-23)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFFHBRGOJPLXLBG-UHFFFAOYSA-N
MW357.91 g/mol
LogP4.89
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole

2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole (PubChem CID 121081694) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
PubChem CID121081694
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCN(c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C19H20ClN3S/c1-13-11-14(2)18-17(12-13)24-19(21-18)23-9-7-22(8-10-23)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyFFHBRGOJPLXLBG-UHFFFAOYSA-N
XLogP4.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588
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-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
CID 138054597
6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941765
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole
CID 121081796
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
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]-4,7-dimethoxy-1,3-benzothiazole
CID 121081719
2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
CID 163345219

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole (CID 121081694) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole is Cc1cc(C)c2nc(N3CCN(c4ccc(Cl)cc4)CC3)sc2c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole?
The InChIKey is FFHBRGOJPLXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S/c1-13-11-14(2)18-17(12-13)24-19(21-18)23-9-7-22(8-10-23)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole?
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole has a molecular weight of 357.91 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 121081694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).