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

C10H11Cl2N5S — CID 65451152

IUPAC1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H11Cl2N5S/c1-2-3-14-10(13)15-7-5(11)4-6(12)8-9(7)17-18-16-8/h4H,2-3H2,1H3,(H3,13,14,15)
InChIKeyYDNARJHDGZRJOU-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.13
Rot. Bonds3

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

1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine (PubChem CID 65451152) has the molecular formula C10H11Cl2N5S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine
PubChem CID65451152
Molecular FormulaC10H11Cl2N5S
Molecular Weight304.21 g/mol
Exact Mass303.01
IUPAC Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H11Cl2N5S/c1-2-3-14-10(13)15-7-5(11)4-6(12)8-9(7)17-18-16-8/h4H,2-3H2,1H3,(H3,13,14,15)
InChIKeyYDNARJHDGZRJOU-UHFFFAOYSA-N
XLogP3.13
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine?
The IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine (CID 65451152) is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine.
What is the SMILES notation for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine?
The canonical SMILES for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine is CCC/N=C(\N)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine?
The InChIKey is YDNARJHDGZRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5S/c1-2-3-14-10(13)15-7-5(11)4-6(12)8-9(7)17-18-16-8/h4H,2-3H2,1H3,(H3,13,14,15).
What are the key properties of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine?
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2-propylguanidine has a molecular weight of 304.21 g/mol, XLogP of 3.13, 3 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-propylguanidine is sourced from PubChem (CID 65451152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).