[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone

C21H19N3O3S — CID 22523538

IUPAC[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCOCC4)ccc23)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-16-5-2-14(3-6-16)17-13-24-18-7-4-15(12-19(18)28-21(24)22-17)20(25)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3
InChIKeyQMVGMIXURLEOAZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.70
Rot. Bonds3

About [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone

[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 22523538) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
PubChem CID22523538
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCOCC4)ccc23)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-16-5-2-14(3-6-16)17-13-24-18-7-4-15(12-19(18)28-21(24)22-17)20(25)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3
InChIKeyQMVGMIXURLEOAZ-UHFFFAOYSA-N
XLogP3.70
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22523749
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 22523687
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone (CID 22523538) is [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCOCC4)ccc23)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is QMVGMIXURLEOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-16-5-2-14(3-6-16)17-13-24-18-7-4-15(12-19(18)28-21(24)22-17)20(25)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 393.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).