2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole

C9H7BrN2O2S — CID 130562818

IUPAC2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole
SMILESCOc1cc(Br)ccc1Oc1nncs1
InChIInChI=1S/C9H7BrN2O2S/c1-13-8-4-6(10)2-3-7(8)14-9-12-11-5-15-9/h2-5H,1H3
InChIKeyCXBVTWVYWXYQIM-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole

2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole (PubChem CID 130562818) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole
PubChem CID130562818
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole
SMILESCOc1cc(Br)ccc1Oc1nncs1
InChIInChI=1S/C9H7BrN2O2S/c1-13-8-4-6(10)2-3-7(8)14-9-12-11-5-15-9/h2-5H,1H3
InChIKeyCXBVTWVYWXYQIM-UHFFFAOYSA-N
XLogP3.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
CID 114673209
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648855
[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
CID 107657383
2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole
CID 130052710
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole (CID 130562818) is 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole is COc1cc(Br)ccc1Oc1nncs1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole?
The InChIKey is CXBVTWVYWXYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-13-8-4-6(10)2-3-7(8)14-9-12-11-5-15-9/h2-5H,1H3.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole?
2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole has a molecular weight of 287.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 130562818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).