1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole

C22H13N3S2 — CID 134843310

IUPAC1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccccc4n3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H13N3S2/c1-2-8-14(9-3-1)19-20(21-23-15-10-4-6-12-17(15)26-21)25-16-11-5-7-13-18(16)27-22(25)24-19/h1-13H
InChIKeyKWUPJDQGPQKXMJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.49
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole

1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 134843310) has the molecular formula C22H13N3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID134843310
Molecular FormulaC22H13N3S2
Molecular Weight383.50 g/mol
Exact Mass383.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc3sc4ccccc4n3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H13N3S2/c1-2-8-14(9-3-1)19-20(21-23-15-10-4-6-12-17(15)26-21)25-16-11-5-7-13-18(16)27-22(25)24-19/h1-13H
InChIKeyKWUPJDQGPQKXMJ-UHFFFAOYSA-N
XLogP6.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 134843310) is 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole is c1ccc(-c2nc3sc4ccccc4n3c2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KWUPJDQGPQKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3S2/c1-2-8-14(9-3-1)19-20(21-23-15-10-4-6-12-17(15)26-21)25-16-11-5-7-13-18(16)27-22(25)24-19/h1-13H.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 383.50 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 134843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).