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

C10H17N5S — CID 136755362

IUPAC4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\Cc2nncn2C)N1
InChIInChI=1S/C10H17N5S/c1-7-4-8(2)16-10(13-7)11-5-9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyWVTMNPKHMQVFHO-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.17
Rot. Bonds2

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

4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136755362) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136755362
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\Cc2nncn2C)N1
InChIInChI=1S/C10H17N5S/c1-7-4-8(2)16-10(13-7)11-5-9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyWVTMNPKHMQVFHO-UHFFFAOYSA-N
XLogP1.17
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.17
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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 136981449
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965124
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]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819639
4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
CID 136755340
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
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
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117935
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine (CID 136755362) is 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\Cc2nncn2C)N1.
What is the InChIKey of 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is WVTMNPKHMQVFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-7-4-8(2)16-10(13-7)11-5-9-14-12-6-15(9)3/h6-8H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine?
4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 239.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).