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

C13H14ClF3N2S — CID 116700615

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(Cl)cc(C(F)(F)F)c2)SC1
InChIInChI=1S/C13H14ClF3N2S/c1-12(2)6-18-11(20-7-12)19-10-4-8(13(15,16)17)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,18,19)
InChIKeyWCAKJFGMVJOMNB-UHFFFAOYSA-N
MW322.78 g/mol
LogP4.90
Rot. Bonds1

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

N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 116700615) has the molecular formula C13H14ClF3N2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID116700615
Molecular FormulaC13H14ClF3N2S
Molecular Weight322.78 g/mol
Exact Mass322.05
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2cc(Cl)cc(C(F)(F)F)c2)SC1
InChIInChI=1S/C13H14ClF3N2S/c1-12(2)6-18-11(20-7-12)19-10-4-8(13(15,16)17)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,18,19)
InChIKeyWCAKJFGMVJOMNB-UHFFFAOYSA-N
XLogP4.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-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-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 116700615) is N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2cc(Cl)cc(C(F)(F)F)c2)SC1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is WCAKJFGMVJOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2S/c1-12(2)6-18-11(20-7-12)19-10-4-8(13(15,16)17)3-9(14)5-10/h3-5H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 322.78 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 116700615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).