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

C15H12N2S — CID 12892101

IUPAC2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(C2CN3C(=N2)Sc2ccccc23)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2
InChIKeyYGCWPCVAVSIFLO-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.71
Rot. Bonds1

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

2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 12892101) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID12892101
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc(C2CN3C(=N2)Sc2ccccc23)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2
InChIKeyYGCWPCVAVSIFLO-UHFFFAOYSA-N
XLogP3.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (CID 12892101) is 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is c1ccc(C2CN3C(=N2)Sc2ccccc23)cc1.
What is the InChIKey of 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is YGCWPCVAVSIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2.
What are the key properties of 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 252.34 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 12892101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).