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

C10H11ClN4S — CID 4020721

IUPACN'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Cl)c2nsnc2c1/N=C/N(C)C
InChIInChI=1S/C10H11ClN4S/c1-6-4-7(11)9-10(14-16-13-9)8(6)12-5-15(2)3/h4-5H,1-3H3/b12-5+
InChIKeyJHCWJOQYJGCFMD-LFYBBSHMSA-N
MW254.75 g/mol
LogP2.87
Rot. Bonds2

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

N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 4020721) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
PubChem CID4020721
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC NameN'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Cl)c2nsnc2c1/N=C/N(C)C
InChIInChI=1S/C10H11ClN4S/c1-6-4-7(11)9-10(14-16-13-9)8(6)12-5-15(2)3/h4-5H,1-3H3/b12-5+
InChIKeyJHCWJOQYJGCFMD-LFYBBSHMSA-N
XLogP2.87
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.87
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'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide (CID 4020721) is N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide is Cc1cc(Cl)c2nsnc2c1/N=C/N(C)C.
What is the InChIKey of N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is JHCWJOQYJGCFMD-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6-4-7(11)9-10(14-16-13-9)8(6)12-5-15(2)3/h4-5H,1-3H3/b12-5+.
What are the key properties of N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide?
N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 254.75 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-5-methyl-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4020721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).