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

C8H5BrClN3S — CID 107994568

IUPAC5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C8H5BrClN3S/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyMIJPGJZHQMNTGW-UHFFFAOYSA-N
MW290.57 g/mol
LogP3.20
Rot. Bonds1

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

5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine (PubChem CID 107994568) has the molecular formula C8H5BrClN3S and a molecular weight of 290.57 g/mol. Its IUPAC name is 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
PubChem CID107994568
Molecular FormulaC8H5BrClN3S
Molecular Weight290.57 g/mol
Exact Mass288.91
IUPAC Name5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C8H5BrClN3S/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,(H2,11,13)
InChIKeyMIJPGJZHQMNTGW-UHFFFAOYSA-N
XLogP3.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 115568091
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107995047
[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 115568396
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 115565473
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
5-(3,4-dichlorophenyl)-1,2,4-thiadiazole-3-carboxylic acid
CID 22229287
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine (CID 107994568) is 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is MIJPGJZHQMNTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3S/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine?
5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 290.57 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 107994568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).