N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide

C9H8Cl2N4S — CID 535621

IUPACN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C9H8Cl2N4S/c1-15(2)4-12-7-5(10)3-6(11)8-9(7)14-16-13-8/h3-4H,1-2H3/b12-4+
InChIKeyWVZNXCMYZFSVBM-UUILKARUSA-N
MW275.16 g/mol
LogP3.22
Rot. Bonds2

About N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide

N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 535621) has the molecular formula C9H8Cl2N4S and a molecular weight of 275.16 g/mol. Its IUPAC name is N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
PubChem CID535621
Molecular FormulaC9H8Cl2N4S
Molecular Weight275.16 g/mol
Exact Mass273.98
IUPAC NameN'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C9H8Cl2N4S/c1-15(2)4-12-7-5(10)3-6(11)8-9(7)14-16-13-8/h3-4H,1-2H3/b12-4+
InChIKeyWVZNXCMYZFSVBM-UUILKARUSA-N
XLogP3.22
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.22
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'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide (CID 535621) is N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is WVZNXCMYZFSVBM-UUILKARUSA-N. The full InChI is InChI=1S/C9H8Cl2N4S/c1-15(2)4-12-7-5(10)3-6(11)8-9(7)14-16-13-8/h3-4H,1-2H3/b12-4+.
What are the key properties of N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 275.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 535621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).