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

C8H14F2N2S — CID 130991565

IUPACN-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CC(F)F)NC1=NCCCS1
InChIInChI=1S/C8H14F2N2S/c1-6(5-7(9)10)12-8-11-3-2-4-13-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyHCUBTNZYUWBFMY-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.11
Rot. Bonds3

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

N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 130991565) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID130991565
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC NameN-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CC(F)F)NC1=NCCCS1
InChIInChI=1S/C8H14F2N2S/c1-6(5-7(9)10)12-8-11-3-2-4-13-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyHCUBTNZYUWBFMY-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 130991565) is N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(CC(F)F)NC1=NCCCS1.
What is the InChIKey of N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is HCUBTNZYUWBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-6(5-7(9)10)12-8-11-3-2-4-13-8/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 208.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 130991565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).