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

C11H10ClF3N2S — CID 17338745

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1cc(NC2=NCCCS2)ccc1Cl
InChIInChI=1S/C11H10ClF3N2S/c12-9-3-2-7(6-8(9)11(13,14)15)17-10-16-4-1-5-18-10/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyVBVPEZFGIAVBAE-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.26
Rot. Bonds1

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338745) has the molecular formula C11H10ClF3N2S and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338745
Molecular FormulaC11H10ClF3N2S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1cc(NC2=NCCCS2)ccc1Cl
InChIInChI=1S/C11H10ClF3N2S/c12-9-3-2-7(6-8(9)11(13,14)15)17-10-16-4-1-5-18-10/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyVBVPEZFGIAVBAE-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(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 N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338745) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is FC(F)(F)c1cc(NC2=NCCCS2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VBVPEZFGIAVBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2S/c12-9-3-2-7(6-8(9)11(13,14)15)17-10-16-4-1-5-18-10/h2-3,6H,1,4-5H2,(H,16,17).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 294.73 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).