3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine

C11H13N3S — CID 170909236

IUPAC3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine
SMILES[H]/N=C1\SCC(C)=NN1Cc1ccccc1
InChIInChI=1S/C11H13N3S/c1-9-8-15-11(12)14(13-9)7-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b12-11-
InChIKeyPAGQIQHPJALJKS-QXMHVHEDSA-N
MW219.31 g/mol
LogP2.55
Rot. Bonds2

About 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine

3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine (PubChem CID 170909236) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine
PubChem CID170909236
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine
SMILES[H]/N=C1\SCC(C)=NN1Cc1ccccc1
InChIInChI=1S/C11H13N3S/c1-9-8-15-11(12)14(13-9)7-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b12-11-
InChIKeyPAGQIQHPJALJKS-QXMHVHEDSA-N
XLogP2.55
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
3-benzyl-1,3-thiazolidin-2-imine
CID 15163853
5-benzyl-2-imino-3-methyl-1,3,5-thiadiazinan-4-one;hydrochloride
CID 170909376
2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
CID 59940821
(5E)-3-benzyl-2-imino-5-(4-methyl-1,4-benzothiazin-3-ylidene)-1,3-thiazolidin-4-one
CID 142264437
3-benzyl-4-methyl-1,3-thiazol-2-imine
CID 1100270
2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
CID 86227815
2-imino-3-[[4-[2-(2-methyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
CID 139914947
1-benzyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 135652932
1-benzylpyrrole-2,5-diimine
CID 151437818
(5Z)-3-benzyl-5-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)-2-imino-1,3-thiazolidin-4-one
CID 142860495
1-[5-(2-benzyl-5-methyl-3,4-dihydropyrazol-3-yl)thiophen-2-yl]ethanone;ethane
CID 143534170

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine?
The IUPAC name of 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine (CID 170909236) is 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine is [H]/N=C1\SCC(C)=NN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine?
The InChIKey is PAGQIQHPJALJKS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-8-15-11(12)14(13-9)7-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/b12-11-.
What are the key properties of 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine?
3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine has a molecular weight of 219.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 170909236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).