[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium

C11H11Cl2N4S+ — CID 21147400

IUPAC[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium
SMILES[H]/N=C/[N+](C)(C)c1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N4S/c1-17(2,6-14)11-10(15-18-16-11)9-7(12)4-3-5-8(9)13/h3-6,14H,1-2H3/q+1/b14-6+
InChIKeyZKBQKKBWEWWTFG-MKMNVTDBSA-N
MW302.21 g/mol
LogP3.69
Rot. Bonds3

About [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium

[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium (PubChem CID 21147400) has the molecular formula C11H11Cl2N4S+ and a molecular weight of 302.21 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium
PubChem CID21147400
Molecular FormulaC11H11Cl2N4S+
Molecular Weight302.21 g/mol
Exact Mass301.01
IUPAC Name[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium
SMILES[H]/N=C/[N+](C)(C)c1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N4S/c1-17(2,6-14)11-10(15-18-16-11)9-7(12)4-3-5-8(9)13/h3-6,14H,1-2H3/q+1/b14-6+
InChIKeyZKBQKKBWEWWTFG-MKMNVTDBSA-N
XLogP3.69
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.69
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N-methyl-N-propyl-formamidine
CID 477313
N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N,N-dimethyl-formamidine
CID 477312
N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N,N-diethyl-formamidine
CID 477314
N'-[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-N,N-diethyl-acetamidine
CID 477315
4-(4-chloro-2-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 80208184
4-(2-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 105396134
4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 105396164
4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 113324928
4-(2-chloro-5-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 113711862
4-(3-chloro-4-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115504481
4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115504746
4-(2-chloro-4-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115505021

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium?
The IUPAC name of [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium (CID 21147400) is [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium.
What is the SMILES notation for [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium?
The canonical SMILES for [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium is [H]/N=C/[N+](C)(C)c1nsnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium?
The InChIKey is ZKBQKKBWEWWTFG-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H11Cl2N4S/c1-17(2,6-14)11-10(15-18-16-11)9-7(12)4-3-5-8(9)13/h3-6,14H,1-2H3/q+1/b14-6+.
What are the key properties of [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium?
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium has a molecular weight of 302.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]-methanimidoyl-dimethylazanium is sourced from PubChem (CID 21147400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).