1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine

C8H7Cl2N5S — CID 65450949

IUPAC1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H7Cl2N5S/c1-12-8(11)13-5-3(9)2-4(10)6-7(5)15-16-14-6/h2H,1H3,(H3,11,12,13)
InChIKeyOFRPDYNXGJPNOO-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.35
Rot. Bonds1

About 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine

1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine (PubChem CID 65450949) has the molecular formula C8H7Cl2N5S and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine
PubChem CID65450949
Molecular FormulaC8H7Cl2N5S
Molecular Weight276.15 g/mol
Exact Mass274.98
IUPAC Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C8H7Cl2N5S/c1-12-8(11)13-5-3(9)2-4(10)6-7(5)15-16-14-6/h2H,1H3,(H3,11,12,13)
InChIKeyOFRPDYNXGJPNOO-UHFFFAOYSA-N
XLogP2.35
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine?
The IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine (CID 65450949) is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine.
What is the SMILES notation for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine?
The canonical SMILES for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine is C/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine?
The InChIKey is OFRPDYNXGJPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5S/c1-12-8(11)13-5-3(9)2-4(10)6-7(5)15-16-14-6/h2H,1H3,(H3,11,12,13).
What are the key properties of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine?
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine has a molecular weight of 276.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-methylguanidine is sourced from PubChem (CID 65450949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).