5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole

C20H16N4O2S2 — CID 122507675

IUPAC5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole
SMILESCOc1cc(OCc2ccccc2)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C20H16N4O2S2/c1-12-23-24-10-16(22-20(24)27-12)19-21-15-8-14(25-2)9-17(18(15)28-19)26-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyUYGGTOXMAVPXKD-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.96
Rot. Bonds5

About 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole

5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole (PubChem CID 122507675) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole.

Molecular Properties

Compound Name5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole
PubChem CID122507675
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC Name5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole
SMILESCOc1cc(OCc2ccccc2)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C20H16N4O2S2/c1-12-23-24-10-16(22-20(24)27-12)19-21-15-8-14(25-2)9-17(18(15)28-19)26-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyUYGGTOXMAVPXKD-UHFFFAOYSA-N
XLogP4.96
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
CID 122507695
N-(2-hydroxyethyl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propan-2-ylbenzamide
CID 134238050
N-(1-methoxy-3-methylbutan-2-yl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 134238029
[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(1R,3R,6R)-3-methyl-7-azabicyclo[4.2.1]nonan-7-yl]methanone
CID 134238017
ethane;[(3R)-3-(hydroxymethyl)morpholin-4-yl]-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone
CID 145146204
[2-(2-hydroxyethyl)morpholin-4-yl]-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone
CID 134238028
2-methyl-6-(6-methyl-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 126550040
4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
CID 118068407
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936
4-[4-[[2-(2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5-methoxy-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;oxolane
CID 145146199
(3E,5E)-6-[4-[[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-3-methylocta-1,3,5-trien-2-ol
CID 145146206

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole?
The IUPAC name of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole (CID 122507675) is 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole.
What is the SMILES notation for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole?
The canonical SMILES for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole is COc1cc(OCc2ccccc2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.
What is the InChIKey of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole?
The InChIKey is UYGGTOXMAVPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c1-12-23-24-10-16(22-20(24)27-12)19-21-15-8-14(25-2)9-17(18(15)28-19)26-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole?
5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole has a molecular weight of 408.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole is sourced from PubChem (CID 122507675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).