4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine

C11H19N5S — CID 136981449

IUPAC4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCc2nncn2C)N1
InChIInChI=1S/C11H19N5S/c1-8-6-9(2)17-11(14-8)12-5-4-10-15-13-7-16(10)3/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyQGZIKUPLHZTWQQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.22
Rot. Bonds3

About 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine

4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine (PubChem CID 136981449) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
PubChem CID136981449
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCc2nncn2C)N1
InChIInChI=1S/C11H19N5S/c1-8-6-9(2)17-11(14-8)12-5-4-10-15-13-7-16(10)3/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyQGZIKUPLHZTWQQ-UHFFFAOYSA-N
XLogP1.22
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362
4,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 137002762
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
3-(2-isocyanatoethyl)-4-methyl-1,2,4-triazole
CID 63330175
4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine
CID 136690772
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965124

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine (CID 136981449) is 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCc2nncn2C)N1.
What is the InChIKey of 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is QGZIKUPLHZTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-8-6-9(2)17-11(14-8)12-5-4-10-15-13-7-16(10)3/h7-9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine?
4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 253.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136981449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).