3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole

C12H6BrClN2OS — CID 63506612

IUPAC3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H6BrClN2OS/c13-9-3-1-8-6-10(4-2-7(8)5-9)17-12-11(14)15-18-16-12/h1-6H
InChIKeyXBKIUNUHMBVBAR-UHFFFAOYSA-N
MW341.62 g/mol
LogP4.90
Rot. Bonds2

About 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole

3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole (PubChem CID 63506612) has the molecular formula C12H6BrClN2OS and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
PubChem CID63506612
Molecular FormulaC12H6BrClN2OS
Molecular Weight341.62 g/mol
Exact Mass339.91
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H6BrClN2OS/c13-9-3-1-8-6-10(4-2-7(8)5-9)17-12-11(14)15-18-16-12/h1-6H
InChIKeyXBKIUNUHMBVBAR-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
CID 81035281
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 60726053
3-(4-bromo-2-nitrophenoxy)-4-chloro-1,2,5-thiadiazole
CID 65429782
N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 81260117
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
2-(6-bromonaphthalen-2-yl)oxy-6-chloropyrazine
CID 60707948
2-(6-bromonaphthalen-2-yl)oxy-3-methylpyridine
CID 63530476

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole (CID 63506612) is 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole is Clc1nsnc1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole?
The InChIKey is XBKIUNUHMBVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2OS/c13-9-3-1-8-6-10(4-2-7(8)5-9)17-12-11(14)15-18-16-12/h1-6H.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole?
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole has a molecular weight of 341.62 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 63506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).