(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

C21H16N2S — CID 162350962

IUPAC(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc([C@@H]2N=C3Sc4ccccc4N3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H16N2S/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/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyWGIKGIZRIJGAOT-PMACEKPBSA-N
MW328.44 g/mol
LogP5.45
Rot. Bonds2

About (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 162350962) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID162350962
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc([C@@H]2N=C3Sc4ccccc4N3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H16N2S/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/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyWGIKGIZRIJGAOT-PMACEKPBSA-N
XLogP5.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (CID 162350962) is (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is c1ccc([C@@H]2N=C3Sc4ccccc4N3[C@H]2c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WGIKGIZRIJGAOT-PMACEKPBSA-N. The full InChI is InChI=1S/C21H16N2S/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/h1-14,19-20H/t19-,20-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 328.44 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 162350962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).