3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole

C8H3BrCl2N2S — CID 102943171

IUPAC3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
SMILESClc1cccc(Cl)c1-c1nc(Br)ns1
InChIInChI=1S/C8H3BrCl2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H
InChIKeySLVUCZJLCPNQPT-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.27
Rot. Bonds1

About 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole

3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole (PubChem CID 102943171) has the molecular formula C8H3BrCl2N2S and a molecular weight of 310.00 g/mol. Its IUPAC name is 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
PubChem CID102943171
Molecular FormulaC8H3BrCl2N2S
Molecular Weight310.00 g/mol
Exact Mass307.86
IUPAC Name3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
SMILESClc1cccc(Cl)c1-c1nc(Br)ns1
InChIInChI=1S/C8H3BrCl2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H
InChIKeySLVUCZJLCPNQPT-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
CID 102943376
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
CID 102943393
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
2-(2,6-dichlorophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383350
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
2-(2,6-dichlorophenyl)-1,3-thiazole-4-carbothioamide
CID 82515860
2-(2-amino-6-bromophenyl)-3-chloroaniline
CID 155477567
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole (CID 102943171) is 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole is Clc1cccc(Cl)c1-c1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole?
The InChIKey is SLVUCZJLCPNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H.
What are the key properties of 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole?
3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole has a molecular weight of 310.00 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).