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

C8H4BrClIN3S — CID 130499509

IUPACN-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc(I)cc1Br
InChIInChI=1S/C8H4BrClIN3S/c9-5-3-4(11)1-2-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyQDFMBXVVDOOZCH-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.30
Rot. Bonds2

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

N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 130499509) has the molecular formula C8H4BrClIN3S and a molecular weight of 416.47 g/mol. Its IUPAC name is N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID130499509
Molecular FormulaC8H4BrClIN3S
Molecular Weight416.47 g/mol
Exact Mass414.80
IUPAC NameN-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1Nc1ccc(I)cc1Br
InChIInChI=1S/C8H4BrClIN3S/c9-5-3-4(11)1-2-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyQDFMBXVVDOOZCH-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
6-N-(2-bromo-4-iodophenyl)-3,5-dichloropyridine-2,6-diamine
CID 114261721
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
N-(2-bromo-6-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107602362
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
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
4-(2-bromo-4-iodoanilino)pyrimidine-5-carbonitrile
CID 112755230
N-(6-bromonaphthalen-2-yl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 81260117
N-(2-bromo-4-iodophenyl)-3-nitropyridin-2-amine
CID 70103878

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine (CID 130499509) is N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is Clc1nsnc1Nc1ccc(I)cc1Br.
What is the InChIKey of N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is QDFMBXVVDOOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClIN3S/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-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine?
N-(2-bromo-4-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 416.47 g/mol, XLogP of 4.30, 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-iodophenyl)-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 130499509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).