3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine

C9H8BrN3S — CID 103083523

IUPAC3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(Br)ccc1-c1nsc(N)n1
InChIInChI=1S/C9H8BrN3S/c1-5-4-6(10)2-3-7(5)8-12-9(11)14-13-8/h2-4H,1H3,(H2,11,12,13)
InChIKeyPHVMBHHUBJYJSC-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.86
Rot. Bonds1

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

3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103083523) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID103083523
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cc(Br)ccc1-c1nsc(N)n1
InChIInChI=1S/C9H8BrN3S/c1-5-4-6(10)2-3-7(5)8-12-9(11)14-13-8/h2-4H,1H3,(H2,11,12,13)
InChIKeyPHVMBHHUBJYJSC-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103083212
2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine
CID 103083839
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
CID 63384076
2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103083999
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 102842233
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
CID 137224780
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
CID 79235359
[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 103084180

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine (CID 103083523) is 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine is Cc1cc(Br)ccc1-c1nsc(N)n1.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PHVMBHHUBJYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-5-4-6(10)2-3-7(5)8-12-9(11)14-13-8/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine?
3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 270.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).