4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine

C23H20N4O2S2 — CID 11328365

IUPAC4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine
SMILESCOc1ccc(N2CCOCC2)c2sc(-c3ncc(-c4csc5ccccc45)[nH]3)nc12
InChIInChI=1S/C23H20N4O2S2/c1-28-18-7-6-17(27-8-10-29-11-9-27)21-20(18)26-23(31-21)22-24-12-16(25-22)15-13-30-19-5-3-2-4-14(15)19/h2-7,12-13H,8-11H2,1H3,(H,24,25)
InChIKeyQHUYXCIFGWHKFR-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.41
Rot. Bonds4

About 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine

4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine (PubChem CID 11328365) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine
PubChem CID11328365
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC Name4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine
SMILESCOc1ccc(N2CCOCC2)c2sc(-c3ncc(-c4csc5ccccc45)[nH]3)nc12
InChIInChI=1S/C23H20N4O2S2/c1-28-18-7-6-17(27-8-10-29-11-9-27)21-20(18)26-23(31-21)22-24-12-16(25-22)15-13-30-19-5-3-2-4-14(15)19/h2-7,12-13H,8-11H2,1H3,(H,24,25)
InChIKeyQHUYXCIFGWHKFR-UHFFFAOYSA-N
XLogP5.41
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-[[4-(2-methylsulfanyl-5-thiophen-2-yl-1H-imidazol-4-yl)-2-pyridinyl]amino]phenyl]prop-2-enamide
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1-(2-(1H-imidazol-5-yl)ethyl)-3-(6-(5-methoxypyridin-3-yl)benzo[d]thiazol-2-yl)urea
CID 89034380
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 10298442
6-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 172804782
2-[5-methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1,3-thiazole
CID 155815013
US10022387, Example 6
CID 122447557
4-[2-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine
CID 134126888
N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
CID 167761938
1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-methoxy-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155806587
2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 155927711
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[2-(4-methylphenyl)-7H-purin-6-yl]sulfanyl]acetamide
CID 3228914
2-(1H-benzoimidazol-2-yl)-4-methoxy-7-morpholin-4-yl-benzothiazole
CID 9863983

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The IUPAC name of 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine (CID 11328365) is 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine.
What is the SMILES notation for 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The canonical SMILES for 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine is COc1ccc(N2CCOCC2)c2sc(-c3ncc(-c4csc5ccccc45)[nH]3)nc12.
What is the InChIKey of 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
The InChIKey is QHUYXCIFGWHKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-28-18-7-6-17(27-8-10-29-11-9-27)21-20(18)26-23(31-21)22-24-12-16(25-22)15-13-30-19-5-3-2-4-14(15)19/h2-7,12-13H,8-11H2,1H3,(H,24,25).
What are the key properties of 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine?
4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine has a molecular weight of 448.57 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]-4-methoxy-1,3-benzothiazol-7-yl]morpholine is sourced from PubChem (CID 11328365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).