N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide

C8H7ClN4S — CID 58489046

IUPACN'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide
SMILESC/C(N)=N\c1c(Cl)ccc2nsnc12
InChIInChI=1S/C8H7ClN4S/c1-4(10)11-7-5(9)2-3-6-8(7)13-14-12-6/h2-3H,1H3,(H2,10,11)
InChIKeyALYVJHWUFYKHEE-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.35
Rot. Bonds1

About N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide

N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide (PubChem CID 58489046) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide
PubChem CID58489046
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC NameN'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide
SMILESC/C(N)=N\c1c(Cl)ccc2nsnc12
InChIInChI=1S/C8H7ClN4S/c1-4(10)11-7-5(9)2-3-6-8(7)13-14-12-6/h2-3H,1H3,(H2,10,11)
InChIKeyALYVJHWUFYKHEE-UHFFFAOYSA-N
XLogP2.35
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide?
The IUPAC name of N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide (CID 58489046) is N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide?
The canonical SMILES for N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide is C/C(N)=N\c1c(Cl)ccc2nsnc12.
What is the InChIKey of N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide?
The InChIKey is ALYVJHWUFYKHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c1-4(10)11-7-5(9)2-3-6-8(7)13-14-12-6/h2-3H,1H3,(H2,10,11).
What are the key properties of N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide?
N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide has a molecular weight of 226.69 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2,1,3-benzothiadiazol-4-yl)ethanimidamide is sourced from PubChem (CID 58489046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).