5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole

C9H6BrClN2OS — CID 133424725

IUPAC5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C9H6BrClN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3
InChIKeyDYEIOHXDNFLTMA-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.05
Rot. Bonds2

About 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole

5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 133424725) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID133424725
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC Name5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C9H6BrClN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3
InChIKeyDYEIOHXDNFLTMA-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
5-(4-chloro-2-nitrophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133426204
5-bromo-4-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103483695
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
2-bromo-4-chloro-1-methylperoxybenzene
CID 175375025
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618543
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole (CID 133424725) is 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is DYEIOHXDNFLTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3.
What are the key properties of 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole?
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole has a molecular weight of 305.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133424725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).