N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine

C19H17N3O3S — CID 155256392

IUPACN-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
SMILESCc1ccccc1-c1cccc2c1N/C(=N/Cc1ccco1)NS2(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-13-6-2-3-8-15(13)16-9-4-10-17-18(16)21-19(22-26(17,23)24)20-12-14-7-5-11-25-14/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyDGMIYYLMKISUKK-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.52
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine

N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine (PubChem CID 155256392) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
PubChem CID155256392
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
SMILESCc1ccccc1-c1cccc2c1N/C(=N/Cc1ccco1)NS2(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-13-6-2-3-8-15(13)16-9-4-10-17-18(16)21-19(22-26(17,23)24)20-12-14-7-5-11-25-14/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyDGMIYYLMKISUKK-UHFFFAOYSA-N
XLogP3.52
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine with MolForge

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

Launch Full Analysis

Related Compounds

3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
CID 136924410
5-(2-chloro-3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 155256533
5-(2-chloro-3-fluorophenyl)-N-(2-fluoroethyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 155256322
2-fluoro-6-[3-(2-methoxypropylimino)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-yl]benzonitrile
CID 155256334
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735953
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
CID 135983993
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 135925781
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135596519
7-chloro-3-[(2-chlorophenyl)methylimino]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-5-ol
CID 135950090
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135583031
2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905688

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine (CID 155256392) is N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine is Cc1ccccc1-c1cccc2c1N/C(=N/Cc1ccco1)NS2(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine?
The InChIKey is DGMIYYLMKISUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13-6-2-3-8-15(13)16-9-4-10-17-18(16)21-19(22-26(17,23)24)20-12-14-7-5-11-25-14/h2-11H,12H2,1H3,(H2,20,21,22).
What are the key properties of N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine?
N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine has a molecular weight of 367.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine is sourced from PubChem (CID 155256392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).