phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone

C20H13NOS — CID 135027581

IUPACphenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2sc(-c3ccccc3)nc12
InChIInChI=1S/C20H13NOS/c22-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-20(23-17)15-10-5-2-6-11-15/h1-13H
InChIKeyWCAARLWTUCAFAE-UHFFFAOYSA-N
MW315.40 g/mol
LogP5.19
Rot. Bonds3

About phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone

phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone (PubChem CID 135027581) has the molecular formula C20H13NOS and a molecular weight of 315.40 g/mol. Its IUPAC name is phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone
PubChem CID135027581
Molecular FormulaC20H13NOS
Molecular Weight315.40 g/mol
Exact Mass315.07
IUPAC Namephenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2sc(-c3ccccc3)nc12
InChIInChI=1S/C20H13NOS/c22-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-20(23-17)15-10-5-2-6-11-15/h1-13H
InChIKeyWCAARLWTUCAFAE-UHFFFAOYSA-N
XLogP5.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
(2-phenyl-1,3-benzothiazol-4-yl)methyl acetate
CID 15676484
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310227
2-phenyl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-1,3-benzothiazole
CID 147940482
[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
CID 10110569
4-amino-2-phenyl-1,3-benzothiazol-5-ol
CID 54396314
(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
CID 141384650
4,5-dimethyl-2-phenyl-1,3-benzothiazole
CID 141364490
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[2-(4-bromophenyl)-1,3-benzothiazol-4-yl] acetate
CID 10497893

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone (CID 135027581) is phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone is O=C(c1ccccc1)c1cccc2sc(-c3ccccc3)nc12.
What is the InChIKey of phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone?
The InChIKey is WCAARLWTUCAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS/c22-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21-20(23-17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone?
phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone has a molecular weight of 315.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone is sourced from PubChem (CID 135027581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).