N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

C13H21N3OS — CID 136757296

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2c(C)noc2C)N1
InChIInChI=1S/C13H21N3OS/c1-5-13(4)6-7-18-12(15-13)14-8-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,14,15)
InChIKeyUOZBIZJUALLSFC-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.04
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757296) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757296
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2c(C)noc2C)N1
InChIInChI=1S/C13H21N3OS/c1-5-13(4)6-7-18-12(15-13)14-8-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,14,15)
InChIKeyUOZBIZJUALLSFC-UHFFFAOYSA-N
XLogP3.04
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-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

4-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136757180
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848336
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747208
4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
4-ethyl-4-methyl-N-pentan-3-yl-1,3-thiazinan-2-imine
CID 136757003
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136984957
4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
CID 136987648
N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136757322
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
CID 136757242
4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136993610

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757296) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\Cc2c(C)noc2C)N1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is UOZBIZJUALLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-5-13(4)6-7-18-12(15-13)14-8-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 267.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).