4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride

C15H18ClF3N2S — CID 44520755

IUPAC4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride
SMILESCC(C)(C)C1=CC(c2cccc(C(F)(F)F)c2)SC(N)=N1.Cl
InChIInChI=1S/C15H17F3N2S.ClH/c1-14(2,3)12-8-11(21-13(19)20-12)9-5-4-6-10(7-9)15(16,17)18;/h4-8,11H,1-3H3,(H2,19,20);1H
InChIKeySZPDEVRJVOGJPF-UHFFFAOYSA-N
MW350.84 g/mol
LogP5.16
Rot. Bonds1

About 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride

4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride (PubChem CID 44520755) has the molecular formula C15H18ClF3N2S and a molecular weight of 350.84 g/mol. Its IUPAC name is 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride
PubChem CID44520755
Molecular FormulaC15H18ClF3N2S
Molecular Weight350.84 g/mol
Exact Mass350.08
IUPAC Name4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride
SMILESCC(C)(C)C1=CC(c2cccc(C(F)(F)F)c2)SC(N)=N1.Cl
InChIInChI=1S/C15H17F3N2S.ClH/c1-14(2,3)12-8-11(21-13(19)20-12)9-5-4-6-10(7-9)15(16,17)18;/h4-8,11H,1-3H3,(H2,19,20);1H
InChIKeySZPDEVRJVOGJPF-UHFFFAOYSA-N
XLogP5.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.84
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride?
The IUPAC name of 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride (CID 44520755) is 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride.
What is the SMILES notation for 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride?
The canonical SMILES for 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride is CC(C)(C)C1=CC(c2cccc(C(F)(F)F)c2)SC(N)=N1.Cl.
What is the InChIKey of 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride?
The InChIKey is SZPDEVRJVOGJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S.ClH/c1-14(2,3)12-8-11(21-13(19)20-12)9-5-4-6-10(7-9)15(16,17)18;/h4-8,11H,1-3H3,(H2,19,20);1H.
What are the key properties of 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride?
4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[3-(trifluoromethyl)phenyl]-6H-1,3-thiazin-2-amine;hydrochloride is sourced from PubChem (CID 44520755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).