imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone

C16H10N2OS — CID 14067627

IUPACimidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C16H10N2OS/c19-15(11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)20-16(18)17-12/h1-10H
InChIKeyHVDWMNFEQUCYPY-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.78
Rot. Bonds2

About imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone

imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone (PubChem CID 14067627) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
PubChem CID14067627
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Nameimidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C16H10N2OS/c19-15(11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)20-16(18)17-12/h1-10H
InChIKeyHVDWMNFEQUCYPY-UHFFFAOYSA-N
XLogP3.78
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone?
The IUPAC name of imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone (CID 14067627) is imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone?
The canonical SMILES for imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone is O=C(c1ccccc1)c1cn2c(n1)sc1ccccc12.
What is the InChIKey of imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone?
The InChIKey is HVDWMNFEQUCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-15(11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)20-16(18)17-12/h1-10H.
What are the key properties of imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone?
imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone has a molecular weight of 278.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone is sourced from PubChem (CID 14067627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).