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

C18H15BrN2O2S2 — CID 19209784

IUPAC2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1c(-c2ccc(Br)cc2)nc2sc3cc(S(C)(=O)=O)ccc3n12
InChIInChI=1S/C18H15BrN2O2S2/c1-3-14-17(11-4-6-12(19)7-5-11)20-18-21(14)15-9-8-13(25(2,22)23)10-16(15)24-18/h4-10H,3H2,1-2H3
InChIKeyWBOWQEIDVNMMGQ-UHFFFAOYSA-N
MW435.37 g/mol
LogP4.94
Rot. Bonds3

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

2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209784) has the molecular formula C18H15BrN2O2S2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209784
Molecular FormulaC18H15BrN2O2S2
Molecular Weight435.37 g/mol
Exact Mass433.98
IUPAC Name2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1c(-c2ccc(Br)cc2)nc2sc3cc(S(C)(=O)=O)ccc3n12
InChIInChI=1S/C18H15BrN2O2S2/c1-3-14-17(11-4-6-12(19)7-5-11)20-18-21(14)15-9-8-13(25(2,22)23)10-16(15)24-18/h4-10H,3H2,1-2H3
InChIKeyWBOWQEIDVNMMGQ-UHFFFAOYSA-N
XLogP4.94
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole (CID 19209784) is 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole is CCc1c(-c2ccc(Br)cc2)nc2sc3cc(S(C)(=O)=O)ccc3n12.
What is the InChIKey of 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WBOWQEIDVNMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S2/c1-3-14-17(11-4-6-12(19)7-5-11)20-18-21(14)15-9-8-13(25(2,22)23)10-16(15)24-18/h4-10H,3H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 435.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-ethyl-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).