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

C20H19ClN4O2S2 — CID 16941569

IUPAC7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4nc5c(OC)ccc(Cl)c5s4)CC3)sc2c1
InChIInChI=1S/C20H19ClN4O2S2/c1-26-12-3-5-14-16(11-12)28-19(22-14)24-7-9-25(10-8-24)20-23-17-15(27-2)6-4-13(21)18(17)29-20/h3-6,11H,7-10H2,1-2H3
InChIKeyMDCPNKJHSBFFOO-UHFFFAOYSA-N
MW446.99 g/mol
LogP4.90
Rot. Bonds4

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

7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole (PubChem CID 16941569) has the molecular formula C20H19ClN4O2S2 and a molecular weight of 446.99 g/mol. Its IUPAC name is 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
PubChem CID16941569
Molecular FormulaC20H19ClN4O2S2
Molecular Weight446.99 g/mol
Exact Mass446.06
IUPAC Name7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCN(c4nc5c(OC)ccc(Cl)c5s4)CC3)sc2c1
InChIInChI=1S/C20H19ClN4O2S2/c1-26-12-3-5-14-16(11-12)28-19(22-14)24-7-9-25(10-8-24)20-23-17-15(27-2)6-4-13(21)18(17)29-20/h3-6,11H,7-10H2,1-2H3
InChIKeyMDCPNKJHSBFFOO-UHFFFAOYSA-N
XLogP4.90
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-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-chloro-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941570
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
4,7-dichloro-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941721
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
CID 16849828
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
7-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
CID 121083673
4,7-dimethoxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081718
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
5-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997735
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538977
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole (CID 16941569) is 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole is COc1ccc2nc(N3CCN(c4nc5c(OC)ccc(Cl)c5s4)CC3)sc2c1.
What is the InChIKey of 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is MDCPNKJHSBFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S2/c1-26-12-3-5-14-16(11-12)28-19(22-14)24-7-9-25(10-8-24)20-23-17-15(27-2)6-4-13(21)18(17)29-20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole?
7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 446.99 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 16941569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).