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

C9H6Br2N2S — CID 63384076

IUPAC2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(Br)ccc1-c1nnc(Br)s1
InChIInChI=1S/C9H6Br2N2S/c1-5-4-6(10)2-3-7(5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyOOYCKVMZAQCLRC-UHFFFAOYSA-N
MW334.04 g/mol
LogP4.04
Rot. Bonds1

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

2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole (PubChem CID 63384076) has the molecular formula C9H6Br2N2S and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
PubChem CID63384076
Molecular FormulaC9H6Br2N2S
Molecular Weight334.04 g/mol
Exact Mass331.86
IUPAC Name2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(Br)ccc1-c1nnc(Br)s1
InChIInChI=1S/C9H6Br2N2S/c1-5-4-6(10)2-3-7(5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyOOYCKVMZAQCLRC-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 102752825
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
2-(4-bromo-2-methylphenyl)-5-(4-heptoxyphenyl)-1,3,4-thiadiazole
CID 145099219
5-bromo-2-(5-iodo-1,3,4-thiadiazol-2-yl)phenol
CID 135978598
tert-butyl 2-[4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylphenyl]propanoate
CID 140529795
2-bromo-5-(4-methylthiophen-3-yl)-1,3,4-thiadiazole
CID 79807419
2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 68570073
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 103083716
3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 103083523
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole (CID 63384076) is 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole is Cc1cc(Br)ccc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is OOYCKVMZAQCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2S/c1-5-4-6(10)2-3-7(5)8-12-13-9(11)14-8/h2-4H,1H3.
What are the key properties of 2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole?
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole has a molecular weight of 334.04 g/mol, XLogP of 4.04, 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-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63384076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).