2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine

C10H14N2S — CID 59165072

IUPAC2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine
SMILESC=S1c2ccccc2CN(C)N1C
InChIInChI=1S/C10H14N2S/c1-11-8-9-6-4-5-7-10(9)13(3)12(11)2/h4-7H,3,8H2,1-2H3
InChIKeyVSNQILSAFHPNEY-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.95
Rot. Bonds

About 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine

2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine (PubChem CID 59165072) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine.

Molecular Properties

Compound Name2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine
PubChem CID59165072
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine
SMILESC=S1c2ccccc2CN(C)N1C
InChIInChI=1S/C10H14N2S/c1-11-8-9-6-4-5-7-10(9)13(3)12(11)2/h4-7H,3,8H2,1-2H3
InChIKeyVSNQILSAFHPNEY-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine?
The IUPAC name of 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine (CID 59165072) is 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine.
What is the SMILES notation for 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine?
The canonical SMILES for 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine is C=S1c2ccccc2CN(C)N1C.
What is the InChIKey of 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine?
The InChIKey is VSNQILSAFHPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-11-8-9-6-4-5-7-10(9)13(3)12(11)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine?
2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine has a molecular weight of 194.30 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-methylidene-4H-1λ4,2,3-benzothiadiazine is sourced from PubChem (CID 59165072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).