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

C7H7N3S — CID 960719

IUPAC5-methyl-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc2nsnc2c1N
InChIInChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3
InChIKeyHREWQZHLWPVDGL-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.58
Rot. Bonds

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

5-methyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 960719) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-methyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-methyl-2,1,3-benzothiadiazol-4-amine
PubChem CID960719
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-methyl-2,1,3-benzothiadiazol-4-amine
SMILESCc1ccc2nsnc2c1N
InChIInChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3
InChIKeyHREWQZHLWPVDGL-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.58
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

5-Methyl-1H-benzotriazole
CID 8705
2,1,3-Benzothiadiazol-4-amine
CID 69845
4-Methyl-1H-benzotriazole
CID 122499
5-Methylpiazselenol
CID 96824
Sodium tolyltriazole
CID 23687327
2,1,3-Benzothiadiazol-5-amine
CID 314313
6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
Benzo(c)(1,2,5)thiadiazol-4-ylmethanamine
CID 2795209
5-(Bromomethyl)-2,1,3-benzothiadiazole
CID 591004
5,6-Dimethyl-2,1,3-benzothiadiazole
CID 690255
2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 783935
Bis(methylsulfonyl)(5-methylbenzo[c]1,2,5-thiadiazol-4-yl)amine
CID 3240195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-methyl-2,1,3-benzothiadiazol-4-amine (CID 960719) is 5-methyl-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-methyl-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-methyl-2,1,3-benzothiadiazol-4-amine is Cc1ccc2nsnc2c1N.
What is the InChIKey of 5-methyl-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HREWQZHLWPVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3.
What are the key properties of 5-methyl-2,1,3-benzothiadiazol-4-amine?
5-methyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 165.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 960719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).