3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole

C17H10BrNOS — CID 66353600

IUPAC3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole
SMILESBrc1c(Oc2snc3ccccc23)ccc2ccccc12
InChIInChI=1S/C17H10BrNOS/c18-16-12-6-2-1-5-11(12)9-10-15(16)20-17-13-7-3-4-8-14(13)19-21-17/h1-10H
InChIKeyBVJWHIOFMNFYGG-UHFFFAOYSA-N
MW356.24 g/mol
LogP6.00
Rot. Bonds2

About 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole

3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole (PubChem CID 66353600) has the molecular formula C17H10BrNOS and a molecular weight of 356.24 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole
PubChem CID66353600
Molecular FormulaC17H10BrNOS
Molecular Weight356.24 g/mol
Exact Mass354.97
IUPAC Name3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole
SMILESBrc1c(Oc2snc3ccccc23)ccc2ccccc12
InChIInChI=1S/C17H10BrNOS/c18-16-12-6-2-1-5-11(12)9-10-15(16)20-17-13-7-3-4-8-14(13)19-21-17/h1-10H
InChIKeyBVJWHIOFMNFYGG-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.24
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenoxy)-2,1-benzothiazole
CID 66353392
5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
CID 65272573
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
CID 66356378
5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
CID 116525566
2-(1-bromonaphthalen-2-yl)oxy-5-(chloromethyl)-1,3,4-thiadiazole
CID 80617745
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
CID 66081956
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 54910912
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
CID 61268643

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole (CID 66353600) is 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole is Brc1c(Oc2snc3ccccc23)ccc2ccccc12.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole?
The InChIKey is BVJWHIOFMNFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNOS/c18-16-12-6-2-1-5-11(12)9-10-15(16)20-17-13-7-3-4-8-14(13)19-21-17/h1-10H.
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole?
3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole has a molecular weight of 356.24 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole is sourced from PubChem (CID 66353600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).