N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine

C11H5BrCl2N4S — CID 65453604

IUPACN-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1Nc1ncccc1Br
InChIInChI=1S/C11H5BrCl2N4S/c12-5-2-1-3-15-11(5)16-8-6(13)4-7(14)9-10(8)18-19-17-9/h1-4H,(H,15,16)
InChIKeyRWYIIVFFQBORKH-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.90
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine

N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine (PubChem CID 65453604) has the molecular formula C11H5BrCl2N4S and a molecular weight of 376.07 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
PubChem CID65453604
Molecular FormulaC11H5BrCl2N4S
Molecular Weight376.07 g/mol
Exact Mass373.88
IUPAC NameN-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1Nc1ncccc1Br
InChIInChI=1S/C11H5BrCl2N4S/c12-5-2-1-3-15-11(5)16-8-6(13)4-7(14)9-10(8)18-19-17-9/h1-4H,(H,15,16)
InChIKeyRWYIIVFFQBORKH-UHFFFAOYSA-N
XLogP4.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]pyridine-3-carbonitrile
CID 65474165
3-bromo-N-(2,3-dichlorophenyl)pyridin-2-amine
CID 63462335
2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
CID 65475612
4-bromo-2-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)benzene-1,2-diamine
CID 65475230
3-bromo-N-(4-bromo-2-chlorophenyl)pyridin-2-amine
CID 55219349
1-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-fluorobenzene-1,2-diamine
CID 65476001
4-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylbenzene-1,4-diamine
CID 65474446
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]pyridine-3-carbothioamide
CID 65473796
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
3-bromo-N-(2-chloro-4-fluorophenyl)pyridin-2-amine
CID 61373924
4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]benzonitrile
CID 65475719

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine (CID 65453604) is N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine is Clc1cc(Cl)c2nsnc2c1Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine?
The InChIKey is RWYIIVFFQBORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N4S/c12-5-2-1-3-15-11(5)16-8-6(13)4-7(14)9-10(8)18-19-17-9/h1-4H,(H,15,16).
What are the key properties of N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine?
N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine has a molecular weight of 376.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-5,7-dichloro-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65453604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).