N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C7H11F3N2S — CID 63227280

IUPACN-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)CCNC1=NCCCS1
InChIInChI=1S/C7H11F3N2S/c8-7(9,10)2-4-12-6-11-3-1-5-13-6/h1-5H2,(H,11,12)
InChIKeyLGTPQPBLYVNKBU-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.02
Rot. Bonds2

About N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 63227280) has the molecular formula C7H11F3N2S and a molecular weight of 212.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID63227280
Molecular FormulaC7H11F3N2S
Molecular Weight212.24 g/mol
Exact Mass212.06
IUPAC NameN-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)CCNC1=NCCCS1
InChIInChI=1S/C7H11F3N2S/c8-7(9,10)2-4-12-6-11-3-1-5-13-6/h1-5H2,(H,11,12)
InChIKeyLGTPQPBLYVNKBU-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoropropyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 63227280) is N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is FC(F)(F)CCNC1=NCCCS1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LGTPQPBLYVNKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2S/c8-7(9,10)2-4-12-6-11-3-1-5-13-6/h1-5H2,(H,11,12).
What are the key properties of N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 212.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 63227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).