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

C22H24N4O2S2 — CID 6622108

IUPAC4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(c4nc5c(OC)ccc(C)c5s4)CC3)nc12
InChIInChI=1S/C22H24N4O2S2/c1-13-5-7-15(27-3)17-19(13)29-21(23-17)25-9-11-26(12-10-25)22-24-18-16(28-4)8-6-14(2)20(18)30-22/h5-8H,9-12H2,1-4H3
InChIKeyCDUQCAWONRTKDJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.87
Rot. Bonds4

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

4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole (PubChem CID 6622108) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole
PubChem CID6622108
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(c4nc5c(OC)ccc(C)c5s4)CC3)nc12
InChIInChI=1S/C22H24N4O2S2/c1-13-5-7-15(27-3)17-19(13)29-21(23-17)25-9-11-26(12-10-25)22-24-18-16(28-4)8-6-14(2)20(18)30-22/h5-8H,9-12H2,1-4H3
InChIKeyCDUQCAWONRTKDJ-UHFFFAOYSA-N
XLogP4.87
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,3-Diphenylpropyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
CID 11955188
2-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-1,3-benzothiazole
CID 3240147
N-(3-(dimethylamino)propyl)-2-((4-fluorophenyl)sulfonyl)-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)acetamide hydrochloride
CID 16823074
N-[2-(Dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-YL)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-YL)benzamide hydrochloride
CID 24892359
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 16032483
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 16032490
2-[4-(4-Methoxybenzyl)piperazino]-1,3-benzothiazole
CID 1484929
4-Methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
N-2-(dimethylamino)ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(E)-3-(2-thienyl)acrylamide
CID 7511001
1-[4-(4-Methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7540233
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032486
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 16032488

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole (CID 6622108) is 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole is COc1ccc(C)c2sc(N3CCN(c4nc5c(OC)ccc(C)c5s4)CC3)nc12.
What is the InChIKey of 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole?
The InChIKey is CDUQCAWONRTKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-13-5-7-15(27-3)17-19(13)29-21(23-17)25-9-11-26(12-10-25)22-24-18-16(28-4)8-6-14(2)20(18)30-22/h5-8H,9-12H2,1-4H3.
What are the key properties of 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole?
4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole has a molecular weight of 440.59 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-7-methyl-1,3-benzothiazole is sourced from PubChem (CID 6622108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).