5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H15F3N2OS — CID 65035435

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOCC(F)(F)F)SC1
InChIInChI=1S/C9H15F3N2OS/c1-7-4-14-8(16-5-7)13-2-3-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyOXOKCZZBGGXVCQ-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.89
Rot. Bonds4

About 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035435) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035435
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOCC(F)(F)F)SC1
InChIInChI=1S/C9H15F3N2OS/c1-7-4-14-8(16-5-7)13-2-3-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyOXOKCZZBGGXVCQ-UHFFFAOYSA-N
XLogP1.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine 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

N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63827564
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63827565
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63827745
5-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63828097
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916867
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916886
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916893
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916902
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035435) is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCOCC(F)(F)F)SC1.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OXOKCZZBGGXVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-7-4-14-8(16-5-7)13-2-3-15-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 256.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).