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

C9H6Br2N2S — CID 63383498

IUPAC2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole
SMILESBrc1ccc(Cc2nnc(Br)s2)cc1
InChIInChI=1S/C9H6Br2N2S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2
InChIKeyPUHADPJIUQTLRD-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.65
Rot. Bonds2

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

2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole (PubChem CID 63383498) has the molecular formula C9H6Br2N2S and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole
PubChem CID63383498
Molecular FormulaC9H6Br2N2S
Molecular Weight334.04 g/mol
Exact Mass331.86
IUPAC Name2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole
SMILESBrc1ccc(Cc2nnc(Br)s2)cc1
InChIInChI=1S/C9H6Br2N2S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2
InChIKeyPUHADPJIUQTLRD-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 673921
2-[(4-bromophenyl)methyl]-1,3-thiazol-4-amine
CID 83107524
5-bromo-N-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624499
2-[2-(4-bromophenyl)ethyl]-5-methyl-1,3,4-thiadiazole
CID 82489511
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
2-[(4-bromophenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975112
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
5-benzyl-1,3,4-thiadiazole-2-carboxamide
CID 173135650
2-[(4-bromophenyl)methyl]thiophen-3-ol
CID 121217171
3-[(4-bromophenyl)sulfonylamino]-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17192467
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole (CID 63383498) is 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole is Brc1ccc(Cc2nnc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole?
The InChIKey is PUHADPJIUQTLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2S/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2.
What are the key properties of 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole?
2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole has a molecular weight of 334.04 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromophenyl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 63383498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).