1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole

C21H14N2OS — CID 138978660

IUPAC1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(Oc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2OS/c1-3-9-15(10-4-1)19-20(24-16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)25-21(23)22-19/h1-14H
InChIKeyIJSVKESMABTASV-UHFFFAOYSA-N
MW342.42 g/mol
LogP6.01
Rot. Bonds3

About 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole

1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 138978660) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID138978660
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(Oc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2OS/c1-3-9-15(10-4-1)19-20(24-16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)25-21(23)22-19/h1-14H
InChIKeyIJSVKESMABTASV-UHFFFAOYSA-N
XLogP6.01
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 138978660) is 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is c1ccc(Oc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1.
What is the InChIKey of 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is IJSVKESMABTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c1-3-9-15(10-4-1)19-20(24-16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)25-21(23)22-19/h1-14H.
What are the key properties of 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 342.42 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 138978660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).