1,2-diphenylimidazo[2,1-b][1,3]benzothiazole

C21H14N2S — CID 12926120

IUPAC1,2-diphenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C21H14N2S/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)24-21(23)22-19/h1-14H
InChIKeySMDWSGDFYDQXPP-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.88
Rot. Bonds2

About 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole

1,2-diphenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 12926120) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1,2-diphenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID12926120
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name1,2-diphenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C21H14N2S/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)24-21(23)22-19/h1-14H
InChIKeySMDWSGDFYDQXPP-UHFFFAOYSA-N
XLogP5.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole (CID 12926120) is 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole is c1ccc(-c2nc3sc4ccccc4n3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is SMDWSGDFYDQXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)23-17-13-7-8-14-18(17)24-21(23)22-19/h1-14H.
What are the key properties of 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole?
1,2-diphenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 326.42 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 12926120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).