2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole

C11H11BrN2S — CID 82489511

IUPAC2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CCc2ccc(Br)cc2)s1
InChIInChI=1S/C11H11BrN2S/c1-8-13-14-11(15-8)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7H2,1H3
InChIKeyPOPICXVZYGQGAA-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole

2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 82489511) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole
PubChem CID82489511
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CCc2ccc(Br)cc2)s1
InChIInChI=1S/C11H11BrN2S/c1-8-13-14-11(15-8)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7H2,1H3
InChIKeyPOPICXVZYGQGAA-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]aniline
CID 82472446
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-but-2-en-2-yl-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 145132890
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl hypoiodite
CID 170414006
2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole
CID 63383498
5-bromo-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 130763162
5-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 673921
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
2-[[1-(bromomethyl)cyclopent-3-en-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 164661739
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
2-(4-bromophenyl)ethyl-fluoro-dimethylsilane
CID 23650279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole (CID 82489511) is 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CCc2ccc(Br)cc2)s1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is POPICXVZYGQGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-13-14-11(15-8)7-4-9-2-5-10(12)6-3-9/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole?
2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 283.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 82489511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).