4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine

C15H19F3N2S — CID 136848013

IUPAC4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C15H19F3N2S/c1-10(2)13-6-7-21-14(20-13)19-9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyAWTQRSIBHMAMGN-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.31
Rot. Bonds3

About 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine

4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine (PubChem CID 136848013) has the molecular formula C15H19F3N2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
PubChem CID136848013
Molecular FormulaC15H19F3N2S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\Cc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C15H19F3N2S/c1-10(2)13-6-7-21-14(20-13)19-9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyAWTQRSIBHMAMGN-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]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-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136933182
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
3,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methylimino]cyclohexan-1-one
CID 7307980
3-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 64857823
4-ethyl-N-[(3-fluorophenyl)methyl]-1,3-thiazolidin-2-imine
CID 135934664
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine (CID 136848013) is 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\Cc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine?
The InChIKey is AWTQRSIBHMAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2S/c1-10(2)13-6-7-21-14(20-13)19-9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine?
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine has a molecular weight of 316.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).