2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole

C19H17BrN4S2 — CID 16941442

IUPAC2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCc1cccc2sc(N3CCN(c4nc5ccc(Br)cc5s4)CC3)nc12
InChIInChI=1S/C19H17BrN4S2/c1-12-3-2-4-15-17(12)22-19(25-15)24-9-7-23(8-10-24)18-21-14-6-5-13(20)11-16(14)26-18/h2-6,11H,7-10H2,1H3
InChIKeyJLRIWIXUQIUUKG-UHFFFAOYSA-N
MW445.41 g/mol
LogP5.30
Rot. Bonds2

About 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole

2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (PubChem CID 16941442) has the molecular formula C19H17BrN4S2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
PubChem CID16941442
Molecular FormulaC19H17BrN4S2
Molecular Weight445.41 g/mol
Exact Mass444.01
IUPAC Name2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCc1cccc2sc(N3CCN(c4nc5ccc(Br)cc5s4)CC3)nc12
InChIInChI=1S/C19H17BrN4S2/c1-12-3-2-4-15-17(12)22-19(25-15)24-9-7-23(8-10-24)18-21-14-6-5-13(20)11-16(14)26-18/h2-6,11H,7-10H2,1H3
InChIKeyJLRIWIXUQIUUKG-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941444
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-chloro-4-methyl-1,3-benzothiazole
CID 16941669
5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole
CID 16941666
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
6-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083485
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
(5-bromothiophen-2-yl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41115816
6-bromo-2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155981269
2-(4-benzylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 90601922
2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The IUPAC name of 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (CID 16941442) is 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is Cc1cccc2sc(N3CCN(c4nc5ccc(Br)cc5s4)CC3)nc12.
What is the InChIKey of 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The InChIKey is JLRIWIXUQIUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4S2/c1-12-3-2-4-15-17(12)22-19(25-15)24-9-7-23(8-10-24)18-21-14-6-5-13(20)11-16(14)26-18/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole has a molecular weight of 445.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 16941442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).