2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole

C20H20N4S2 — CID 7110142

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc2c1
InChIInChI=1S/C20H20N4S2/c1-13-11-14(2)18-16(12-13)22-20(26-18)24-9-7-23(8-10-24)19-21-15-5-3-4-6-17(15)25-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKYVMAUSICLSMCY-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.85
Rot. Bonds2

About 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole (PubChem CID 7110142) has the molecular formula C20H20N4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
PubChem CID7110142
Molecular FormulaC20H20N4S2
Molecular Weight380.54 g/mol
Exact Mass380.11
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc2c1
InChIInChI=1S/C20H20N4S2/c1-13-11-14(2)18-16(12-13)22-20(26-18)24-9-7-23(8-10-24)19-21-15-5-3-4-6-17(15)25-19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKYVMAUSICLSMCY-UHFFFAOYSA-N
XLogP4.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
(3-chloro-1-benzothiophen-2-yl)-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41116480
3-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167647
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678854
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7539700
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 1498147
1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 7597081
[6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methanamine
CID 45222357
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171996888
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 18587324

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole (CID 7110142) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole is Cc1cc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc2c1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole?
The InChIKey is KYVMAUSICLSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S2/c1-13-11-14(2)18-16(12-13)22-20(26-18)24-9-7-23(8-10-24)19-21-15-5-3-4-6-17(15)25-19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole has a molecular weight of 380.54 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 7110142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).