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

C8H4BrClFN3S — CID 43808120

IUPACN-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(Nc2nsnc2Cl)c(Br)c1
InChIInChI=1S/C8H4BrClFN3S/c9-5-3-4(11)1-2-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyFBCQTQOCYYZXPR-UHFFFAOYSA-N
MW308.56 g/mol
LogP3.84
Rot. Bonds2

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

N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 43808120) has the molecular formula C8H4BrClFN3S and a molecular weight of 308.56 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID43808120
Molecular FormulaC8H4BrClFN3S
Molecular Weight308.56 g/mol
Exact Mass306.90
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(Nc2nsnc2Cl)c(Br)c1
InChIInChI=1S/C8H4BrClFN3S/c9-5-3-4(11)1-2-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyFBCQTQOCYYZXPR-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 130499509
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 107530583
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
4-(2-bromo-4-fluoroanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80732680
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
4-chloro-N-(2,3-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 61075065

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (CID 43808120) is N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is Fc1ccc(Nc2nsnc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is FBCQTQOCYYZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN3S/c9-5-3-4(11)1-2-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 308.56 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).