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

C13H14ClF3N2S — CID 116700611

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C13H14ClF3N2S/c1-2-10-3-4-20-12(18-10)19-11-6-8(13(15,16)17)5-9(14)7-11/h5-7,10H,2-4H2,1H3,(H,18,19)
InChIKeyDUTMGCLEAOCHCO-UHFFFAOYSA-N
MW322.78 g/mol
LogP5.04
Rot. Bonds2

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

N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 116700611) has the molecular formula C13H14ClF3N2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID116700611
Molecular FormulaC13H14ClF3N2S
Molecular Weight322.78 g/mol
Exact Mass322.05
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C13H14ClF3N2S/c1-2-10-3-4-20-12(18-10)19-11-6-8(13(15,16)17)5-9(14)7-11/h5-7,10H,2-4H2,1H3,(H,18,19)
InChIKeyDUTMGCLEAOCHCO-UHFFFAOYSA-N
XLogP5.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.78
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-5-(trifluoromethyl)phenyl]-4-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-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 116700612
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 116700609
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 116700615
4-ethyl-N-(2,4,6-tribromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495903
4-ethyl-N-(3-ethyl-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114250424
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219331
3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
CID 116699074
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 116700611) is N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(Nc2cc(Cl)cc(C(F)(F)F)c2)=N1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DUTMGCLEAOCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2S/c1-2-10-3-4-20-12(18-10)19-11-6-8(13(15,16)17)5-9(14)7-11/h5-7,10H,2-4H2,1H3,(H,18,19).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 322.78 g/mol, XLogP of 5.04, 2 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]-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 116700611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).