2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole

C8H3Br2FN2S — CID 59525067

IUPAC2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Br)ccc1-c1nnc(Br)s1
InChIInChI=1S/C8H3Br2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyVEMIHKRPBCZSCY-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.87
Rot. Bonds1

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

2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 59525067) has the molecular formula C8H3Br2FN2S and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
PubChem CID59525067
Molecular FormulaC8H3Br2FN2S
Molecular Weight338.00 g/mol
Exact Mass335.84
IUPAC Name2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Br)ccc1-c1nnc(Br)s1
InChIInChI=1S/C8H3Br2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H
InChIKeyVEMIHKRPBCZSCY-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
CID 63384076
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
CID 114908199
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
CID 64623026
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
5-bromo-2-(5-iodo-1,3,4-thiadiazol-2-yl)phenol
CID 135978598
2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114905340
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
4-(6-bromo-1,3-benzothiazol-2-yl)-3-fluoroaniline
CID 107795255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole (CID 59525067) is 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole is Fc1cc(Br)ccc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is VEMIHKRPBCZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2FN2S/c9-4-1-2-5(6(11)3-4)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole?
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 338.00 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 59525067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).