2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole

C20H15NOS — CID 58511530

IUPAC2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H15NOS/c1-22-18-13-15(14-7-3-2-4-8-14)11-12-16(18)20-21-17-9-5-6-10-19(17)23-20/h2-13H,1H3
InChIKeyZMWIOJZFHDPJON-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.64
Rot. Bonds3

About 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole

2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole (PubChem CID 58511530) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
PubChem CID58511530
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H15NOS/c1-22-18-13-15(14-7-3-2-4-8-14)11-12-16(18)20-21-17-9-5-6-10-19(17)23-20/h2-13H,1H3
InChIKeyZMWIOJZFHDPJON-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-[2-methoxy-5-(2-phenylethynyl)phenyl]-1,3-benzothiazole
CID 132509007
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 45267187
3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol
CID 46703248
3-(1,3-benzothiazol-2-yl)-4-methoxybenzaldehyde
CID 163198854
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
CID 141250783

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole (CID 58511530) is 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole is COc1cc(-c2ccccc2)ccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole?
The InChIKey is ZMWIOJZFHDPJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-22-18-13-15(14-7-3-2-4-8-14)11-12-16(18)20-21-17-9-5-6-10-19(17)23-20/h2-13H,1H3.
What are the key properties of 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole?
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole has a molecular weight of 317.41 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 58511530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).