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

C20H19ClN4OS2 — CID 16941570

IUPAC6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4nc5c(C)cc(Cl)cc5s4)CC3)sc2c1
InChIInChI=1S/C20H19ClN4OS2/c1-12-9-13(21)10-17-18(12)23-20(28-17)25-7-5-24(6-8-25)19-22-15-4-3-14(26-2)11-16(15)27-19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyHUXCWXRWKUMSJR-UHFFFAOYSA-N
MW430.99 g/mol
LogP5.20
Rot. Bonds3

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

6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (PubChem CID 16941570) has the molecular formula C20H19ClN4OS2 and a molecular weight of 430.99 g/mol. Its IUPAC name is 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
PubChem CID16941570
Molecular FormulaC20H19ClN4OS2
Molecular Weight430.99 g/mol
Exact Mass430.07
IUPAC Name6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4nc5c(C)cc(Cl)cc5s4)CC3)sc2c1
InChIInChI=1S/C20H19ClN4OS2/c1-12-9-13(21)10-17-18(12)23-20(28-17)25-7-5-24(6-8-25)19-22-15-4-3-14(26-2)11-16(15)27-19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyHUXCWXRWKUMSJR-UHFFFAOYSA-N
XLogP5.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.99
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,7-dimethyl-1,3-benzothiazole
CID 16941566
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941569
2-[4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941737
6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
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-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539068
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole (CID 16941570) is 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is COc1ccc2nc(N3CCN(c4nc5c(C)cc(Cl)cc5s4)CC3)sc2c1.
What is the InChIKey of 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
The InChIKey is HUXCWXRWKUMSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS2/c1-12-9-13(21)10-17-18(12)23-20(28-17)25-7-5-24(6-8-25)19-22-15-4-3-14(26-2)11-16(15)27-19/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole?
6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole has a molecular weight of 430.99 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 16941570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).