4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine

C7H6BrN3S — CID 19691938

IUPAC4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine
SMILESCc1cc(N)c(Br)c2nsnc12
InChIInChI=1S/C7H6BrN3S/c1-3-2-4(9)5(8)7-6(3)10-12-11-7/h2H,9H2,1H3
InChIKeyYUDDBBJPUMBOSU-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.34
Rot. Bonds

About 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine

4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine (PubChem CID 19691938) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine.

Molecular Properties

Compound Name4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine
PubChem CID19691938
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine
SMILESCc1cc(N)c(Br)c2nsnc12
InChIInChI=1S/C7H6BrN3S/c1-3-2-4(9)5(8)7-6(3)10-12-11-7/h2H,9H2,1H3
InChIKeyYUDDBBJPUMBOSU-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-7-methyl-2,1,3-benzothiadiazol-4-yl)-7-methyl-2,1,3-benzothiadiazol-5-amine
CID 166512480
5-methyl-2,1,3-benzothiadiazole-4,7-diamine;dihydrochloride
CID 138752611
4-chloro-5-methyl-2,1,3-benzothiadiazol-7-amine
CID 53263208
4,6-dibromo-5H-azirino[2,3-f][2,1,3]benzothiadiazole
CID 136994107
5,7-dimethyl-2,1,3-benzothiadiazole-4-carbonitrile
CID 11321416
4-bromo-5,6-difluoro-7-methyl-2,1,3-benzothiadiazole
CID 91474988
4,7-dibromo-5,6-dichloro-2,1,3-benzothiadiazole
CID 67515482
4-bromo-8-methyl-6-methylsulfanyl-1,5-naphthyridin-3-amine
CID 71181486
4,7-dibromo-5-methoxy-6-methyl-2,1,3-benzothiadiazole
CID 90084924
4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
4-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylbenzene-1,4-diamine
CID 65474446
N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine
CID 10893290

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine?
The IUPAC name of 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine (CID 19691938) is 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine.
What is the SMILES notation for 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine?
The canonical SMILES for 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine is Cc1cc(N)c(Br)c2nsnc12.
What is the InChIKey of 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine?
The InChIKey is YUDDBBJPUMBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-3-2-4(9)5(8)7-6(3)10-12-11-7/h2H,9H2,1H3.
What are the key properties of 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine?
4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine has a molecular weight of 244.12 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-2,1,3-benzothiadiazol-5-amine is sourced from PubChem (CID 19691938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).