2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

C16H11BrN2OS — CID 19209621

IUPAC2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C16H11BrN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyBYARTIHARQIFTI-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.99
Rot. Bonds2

About 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209621) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209621
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12
InChIInChI=1S/C16H11BrN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyBYARTIHARQIFTI-UHFFFAOYSA-N
XLogP4.99
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (CID 19209621) is 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12.
What is the InChIKey of 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is BYARTIHARQIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 359.25 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).