2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole

C21H14N2S2 — CID 164613901

IUPAC2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2S2/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
InChIKeyAIAIWRCHFPGNSP-UHFFFAOYSA-N
MW358.49 g/mol
LogP6.37
Rot. Bonds3

About 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole

2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 164613901) has the molecular formula C21H14N2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole
PubChem CID164613901
Molecular FormulaC21H14N2S2
Molecular Weight358.49 g/mol
Exact Mass358.06
IUPAC Name2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C21H14N2S2/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
InChIKeyAIAIWRCHFPGNSP-UHFFFAOYSA-N
XLogP6.37
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole (CID 164613901) is 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole is c1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n23)cc1.
What is the InChIKey of 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is AIAIWRCHFPGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S2/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 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole?
2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 358.49 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-phenylsulfanylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 164613901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).