N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine

C8H3BrCl3N3S — CID 107792312

IUPACN-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C8H3BrCl3N3S/c9-3-1-2-4(6(11)5(3)10)13-8-7(12)14-16-15-8/h1-2H,(H,13,15)
InChIKeyXKXBJBOGISNXFS-UHFFFAOYSA-N
MW359.46 g/mol
LogP5.00
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine

N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 107792312) has the molecular formula C8H3BrCl3N3S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID107792312
Molecular FormulaC8H3BrCl3N3S
Molecular Weight359.46 g/mol
Exact Mass356.83
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C8H3BrCl3N3S/c9-3-1-2-4(6(11)5(3)10)13-8-7(12)14-16-15-8/h1-2H,(H,13,15)
InChIKeyXKXBJBOGISNXFS-UHFFFAOYSA-N
XLogP5.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 130499509
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107791746
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107792299
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (CID 107792312) is N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is Clc1nsnc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is XKXBJBOGISNXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl3N3S/c9-3-1-2-4(6(11)5(3)10)13-8-7(12)14-16-15-8/h1-2H,(H,13,15).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 359.46 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 107792312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).