4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H17F3N2S — CID 106351155

IUPAC4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C14H17F3N2S/c1-9(2)11-7-8-20-13(18-11)19-12-6-4-3-5-10(12)14(15,16)17/h3-6,9,11H,7-8H2,1-2H3,(H,18,19)
InChIKeyFBCVRDCZRZQYKJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.63
Rot. Bonds2

About 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351155) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351155
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C14H17F3N2S/c1-9(2)11-7-8-20-13(18-11)19-12-6-4-3-5-10(12)14(15,16)17/h3-6,9,11H,7-8H2,1-2H3,(H,18,19)
InChIKeyFBCVRDCZRZQYKJ-UHFFFAOYSA-N
XLogP4.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-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 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351155) is 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(Nc2ccccc2C(F)(F)F)=N1.
What is the InChIKey of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FBCVRDCZRZQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-9(2)11-7-8-20-13(18-11)19-12-6-4-3-5-10(12)14(15,16)17/h3-6,9,11H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).