2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole

C10H8BrNOS — CID 154691622

IUPAC2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(/C=C/Br)sc2c1
InChIInChI=1S/C10H8BrNOS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-6H,1H3/b5-4+
InChIKeyVRVYJZHYHQTQED-SNAWJCMRSA-N
MW270.15 g/mol
LogP3.67
Rot. Bonds2

About 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole

2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole (PubChem CID 154691622) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
PubChem CID154691622
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(/C=C/Br)sc2c1
InChIInChI=1S/C10H8BrNOS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-6H,1H3/b5-4+
InChIKeyVRVYJZHYHQTQED-SNAWJCMRSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromobut-1-enyl)-6-methoxy-1,3-benzothiazole
CID 170498190
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333
4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 135556592
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methoxy-1,3-benzothiazole
CID 9448034
methyl 4-(6-methoxy-1,3-benzothiazol-2-yl)but-3-enoate
CID 170501642
2-methoxy-4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135556589
ethyl (E)-3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoate
CID 83766867
6-methoxy-2-[(E)-2-[2-(2-methoxyphenyl)pyrimidin-5-yl]ethenyl]-1,3-benzothiazole
CID 167910512
3-chloro-5-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]benzene-1,2-diol
CID 135750005
2-[(E)-2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethenyl]-6-methoxy-1,3-benzothiazole
CID 9448058
CID 158604119
CID 158604119
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole (CID 154691622) is 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole is COc1ccc2nc(/C=C/Br)sc2c1.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole?
The InChIKey is VRVYJZHYHQTQED-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-6H,1H3/b5-4+.
What are the key properties of 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole?
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole has a molecular weight of 270.15 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 154691622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).