5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal

C16H16N2O2S — CID 155607270

IUPAC5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal
SMILESCOc1ccc2c(c1)sc1nc(C=CCC(C)C=O)cn12
InChIInChI=1S/C16H16N2O2S/c1-11(10-19)4-3-5-12-9-18-14-7-6-13(20-2)8-15(14)21-16(18)17-12/h3,5-11H,4H2,1-2H3
InChIKeyKJWSDIKUNYXEFY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.80
Rot. Bonds5

About 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal

5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal (PubChem CID 155607270) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal.

Molecular Properties

Compound Name5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal
PubChem CID155607270
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal
SMILESCOc1ccc2c(c1)sc1nc(C=CCC(C)C=O)cn12
InChIInChI=1S/C16H16N2O2S/c1-11(10-19)4-3-5-12-9-18-14-7-6-13(20-2)8-15(14)21-16(18)17-12/h3,5-11H,4H2,1-2H3
InChIKeyKJWSDIKUNYXEFY-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
6-methoxy-[1,3]thiazolo[3,2-a]benzimidazole-2-carbaldehyde
CID 126617781
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
N'-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]methanediamine
CID 155215032
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
methyl 6-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 122367514
cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
CID 14519703

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal?
The IUPAC name of 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal (CID 155607270) is 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal.
What is the SMILES notation for 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal?
The canonical SMILES for 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal is COc1ccc2c(c1)sc1nc(C=CCC(C)C=O)cn12.
What is the InChIKey of 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal?
The InChIKey is KJWSDIKUNYXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(10-19)4-3-5-12-9-18-14-7-6-13(20-2)8-15(14)21-16(18)17-12/h3,5-11H,4H2,1-2H3.
What are the key properties of 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal?
5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal has a molecular weight of 300.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-methylpent-4-enal is sourced from PubChem (CID 155607270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).