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

C9H9ClN4S — CID 541527

IUPACN'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc2nsnc2c1Cl
InChIInChI=1S/C9H9ClN4S/c1-14(2)5-11-6-3-4-7-9(8(6)10)13-15-12-7/h3-5H,1-2H3/b11-5+
InChIKeyIUSJAEWNIDWSAT-VZUCSPMQSA-N
MW240.72 g/mol
LogP2.57
Rot. Bonds2

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

N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide (PubChem CID 541527) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide
PubChem CID541527
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC NameN'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc2nsnc2c1Cl
InChIInChI=1S/C9H9ClN4S/c1-14(2)5-11-6-3-4-7-9(8(6)10)13-15-12-7/h3-5H,1-2H3/b11-5+
InChIKeyIUSJAEWNIDWSAT-VZUCSPMQSA-N
XLogP2.57
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.57
H-Bond Donors ≤ 50
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'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide (CID 541527) is N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc2nsnc2c1Cl.
What is the InChIKey of N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide?
The InChIKey is IUSJAEWNIDWSAT-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-14(2)5-11-6-3-4-7-9(8(6)10)13-15-12-7/h3-5H,1-2H3/b11-5+.
What are the key properties of N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide?
N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide has a molecular weight of 240.72 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,1,3-benzothiadiazol-5-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 541527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).