2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole

C14H10BrNOS — CID 132514015

IUPAC2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1cccc(Br)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H10BrNOS/c1-17-11-7-4-5-9(15)13(11)14-16-10-6-2-3-8-12(10)18-14/h2-8H,1H3
InChIKeyDBCFLHINSKSOOL-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.73
Rot. Bonds2

About 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole

2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole (PubChem CID 132514015) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
PubChem CID132514015
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1cccc(Br)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H10BrNOS/c1-17-11-7-4-5-9(15)13(11)14-16-10-6-2-3-8-12(10)18-14/h2-8H,1H3
InChIKeyDBCFLHINSKSOOL-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
CID 136746012
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(2,6-dibromo-3-chlorophenyl)-1,3-benzothiazole
CID 122398341
6-chloro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
CID 134862335
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
2-[2,4,5-tris(1,3-benzothiazol-2-yl)-3,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 164706104
2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 164705919

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole (CID 132514015) is 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole is COc1cccc(Br)c1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is DBCFLHINSKSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-17-11-7-4-5-9(15)13(11)14-16-10-6-2-3-8-12(10)18-14/h2-8H,1H3.
What are the key properties of 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole?
2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole has a molecular weight of 320.21 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 132514015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).