3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine

C14H16N4O3S — CID 136924410

IUPAC3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
SMILESCN(C)c1ccc2c(c1)S(=O)(=O)N/C(=N/Cc1ccco1)N2
InChIInChI=1S/C14H16N4O3S/c1-18(2)10-5-6-12-13(8-10)22(19,20)17-14(16-12)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyQDVXMBSGEMHIHO-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.61
Rot. Bonds3

About 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine

3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine (PubChem CID 136924410) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
PubChem CID136924410
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
SMILESCN(C)c1ccc2c(c1)S(=O)(=O)N/C(=N/Cc1ccco1)N2
InChIInChI=1S/C14H16N4O3S/c1-18(2)10-5-6-12-13(8-10)22(19,20)17-14(16-12)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyQDVXMBSGEMHIHO-UHFFFAOYSA-N
XLogP1.61
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine?
The IUPAC name of 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine (CID 136924410) is 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine.
What is the SMILES notation for 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine?
The canonical SMILES for 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine is CN(C)c1ccc2c(c1)S(=O)(=O)N/C(=N/Cc1ccco1)N2.
What is the InChIKey of 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine?
The InChIKey is QDVXMBSGEMHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-18(2)10-5-6-12-13(8-10)22(19,20)17-14(16-12)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine?
3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine has a molecular weight of 320.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine is sourced from PubChem (CID 136924410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).