6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole

C20H18Cl2N4S2 — CID 16941765

IUPAC6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCc1cc(Cl)cc2sc(N3CCN(c4nc5c(C)ccc(Cl)c5s4)CC3)nc12
InChIInChI=1S/C20H18Cl2N4S2/c1-11-3-4-14(22)18-17(11)24-20(28-18)26-7-5-25(6-8-26)19-23-16-12(2)9-13(21)10-15(16)27-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeySYZCNPPGGDRZSG-UHFFFAOYSA-N
MW449.43 g/mol
LogP6.16
Rot. Bonds2

About 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole

6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (PubChem CID 16941765) has the molecular formula C20H18Cl2N4S2 and a molecular weight of 449.43 g/mol. Its IUPAC name is 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
PubChem CID16941765
Molecular FormulaC20H18Cl2N4S2
Molecular Weight449.43 g/mol
Exact Mass448.03
IUPAC Name6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCc1cc(Cl)cc2sc(N3CCN(c4nc5c(C)ccc(Cl)c5s4)CC3)nc12
InChIInChI=1S/C20H18Cl2N4S2/c1-11-3-4-14(22)18-17(11)24-20(28-18)26-7-5-25(6-8-26)19-23-16-12(2)9-13(21)10-15(16)27-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeySYZCNPPGGDRZSG-UHFFFAOYSA-N
XLogP6.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941737
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 82192162
6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941570
5-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997690
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893518
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580823
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
tert-butyl 4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxylate
CID 164928698
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172904123
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 25267807

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (CID 16941765) is 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is Cc1cc(Cl)cc2sc(N3CCN(c4nc5c(C)ccc(Cl)c5s4)CC3)nc12.
What is the InChIKey of 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The InChIKey is SYZCNPPGGDRZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4S2/c1-11-3-4-14(22)18-17(11)24-20(28-18)26-7-5-25(6-8-26)19-23-16-12(2)9-13(21)10-15(16)27-19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole has a molecular weight of 449.43 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 16941765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).