2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole

C14H17BrN2OS — CID 64625478

IUPAC2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
SMILESCCc1ccc(Oc2nnc(Br)s2)c(C(C)(C)C)c1
InChIInChI=1S/C14H17BrN2OS/c1-5-9-6-7-11(10(8-9)14(2,3)4)18-13-17-16-12(15)19-13/h6-8H,5H2,1-4H3
InChIKeyAMZOTRSCRBAQNG-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.95
Rot. Bonds3

About 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole

2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole (PubChem CID 64625478) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
PubChem CID64625478
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
SMILESCCc1ccc(Oc2nnc(Br)s2)c(C(C)(C)C)c1
InChIInChI=1S/C14H17BrN2OS/c1-5-9-6-7-11(10(8-9)14(2,3)4)18-13-17-16-12(15)19-13/h6-8H,5H2,1-4H3
InChIKeyAMZOTRSCRBAQNG-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Bromo-5-[4-(trifluoromethyl)phenoxy]-1,3,4-thiadiazole
CID 64625070
2-Bromo-5-[2-(trifluoromethyl)phenoxy]-1,3,4-thiadiazole
CID 64622391
2-Bromo-5-(4-fluoro-2-methylphenoxy)-1,3,4-thiadiazole
CID 81782044
2-Methylsulfanyl-5-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]-1,3,4-thiadiazole
CID 100989356
2-Bromo-5-(5-fluoro-2-methylphenoxy)-1,3,4-thiadiazole
CID 102981486
2-Bromo-5-(3-fluoro-4-methylphenoxy)-1,3,4-thiadiazole
CID 107169149
4-[(5-Bromo-1,3,4-thiadiazol-2-yl)oxy]-3-(trifluoromethyl)benzonitrile
CID 113315498
2-[4-(2-Deuteriopropan-2-yl)phenoxy]-1,3,4-thiadiazole
CID 175849361
2-Bromo-5-(2-tert-butyl-4-methoxyphenoxy)-1,3,4-thiadiazole
CID 64622393
2-Bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole
CID 64622394
2-Bromo-5-(2-butan-2-ylphenoxy)-1,3,4-thiadiazole
CID 64622395
2-Bromo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,3,4-thiadiazole
CID 64622401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole (CID 64625478) is 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole is CCc1ccc(Oc2nnc(Br)s2)c(C(C)(C)C)c1.
What is the InChIKey of 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole?
The InChIKey is AMZOTRSCRBAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-5-9-6-7-11(10(8-9)14(2,3)4)18-13-17-16-12(15)19-13/h6-8H,5H2,1-4H3.
What are the key properties of 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole has a molecular weight of 341.27 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64625478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).