2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine

C14H14N2S — CID 154486612

IUPAC2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine
SMILESc1ccc(CN2CNc3ccccc3S2)cc1
InChIInChI=1S/C14H14N2S/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)17-16/h1-9,15H,10-11H2
InChIKeyZXGKPJINLBFVNR-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.58
Rot. Bonds2

About 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine

2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine (PubChem CID 154486612) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine
PubChem CID154486612
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine
SMILESc1ccc(CN2CNc3ccccc3S2)cc1
InChIInChI=1S/C14H14N2S/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)17-16/h1-9,15H,10-11H2
InChIKeyZXGKPJINLBFVNR-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-2-[(2-chlorophenyl)methyl]-3,4-dihydro-1,2,4-benzothiadiazine
CID 54029505
1-benzyl-1,3-diazetidine
CID 67702530
2-benzyl-1,2-thiazolidin-4-one
CID 134182902
4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine
CID 143402060
2-benzyl-2-methyl-3,4-dihydro-1,4-benzothiazine
CID 13293497
2-[(3-benzyl-4,5-dihydro-3H-1,2,5-benzothiadiazepin-2-yl)oxy]acetamide
CID 69125329
2-benzyl-1,2-benzothiazine
CID 154184832
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 141204982
2-[(4-pyrrol-1-ylphenyl)methyl]-3H-1,2-benzothiazole
CID 129019370
3-benzyl-2H-1,3-benzothiazole
CID 5080554
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine?
The IUPAC name of 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine (CID 154486612) is 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine?
The canonical SMILES for 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine is c1ccc(CN2CNc3ccccc3S2)cc1.
What is the InChIKey of 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine?
The InChIKey is ZXGKPJINLBFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)17-16/h1-9,15H,10-11H2.
What are the key properties of 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine?
2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine has a molecular weight of 242.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine is sourced from PubChem (CID 154486612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).