4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H21F3N2S — CID 106352463

IUPAC4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CC(F)(F)F)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C12H21F3N2S/c1-8(7-12(13,14)15)16-10-17-9(5-6-18-10)11(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyWXSQDLINQUEWIT-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.82
Rot. Bonds2

About 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352463) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352463
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CC(F)(F)F)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C12H21F3N2S/c1-8(7-12(13,14)15)16-10-17-9(5-6-18-10)11(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyWXSQDLINQUEWIT-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352463) is 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(CC(F)(F)F)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WXSQDLINQUEWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c1-8(7-12(13,14)15)16-10-17-9(5-6-18-10)11(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).