phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone

C22H18N2OS — CID 5179041

IUPACphenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C22H18N2OS/c25-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)23-22-24(20)17-13-7-8-14-18(17)26-22/h1-6,9-12H,7-8,13-14H2
InChIKeyCSTBKCHBLGJXIF-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.17
Rot. Bonds3

About phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone

phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone (PubChem CID 5179041) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
PubChem CID5179041
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Namephenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)nc2sc3c(n12)CCCC3
InChIInChI=1S/C22H18N2OS/c25-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)23-22-24(20)17-13-7-8-14-18(17)26-22/h1-6,9-12H,7-8,13-14H2
InChIKeyCSTBKCHBLGJXIF-UHFFFAOYSA-N
XLogP5.17
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone (CID 5179041) is phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone is O=C(c1ccccc1)c1c(-c2ccccc2)nc2sc3c(n12)CCCC3.
What is the InChIKey of phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone?
The InChIKey is CSTBKCHBLGJXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)23-22-24(20)17-13-7-8-14-18(17)26-22/h1-6,9-12H,7-8,13-14H2.
What are the key properties of phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone?
phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone has a molecular weight of 358.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone is sourced from PubChem (CID 5179041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).