5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H13F3N2S — CID 65035053

IUPAC5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCC(F)(F)F)SC1
InChIInChI=1S/C8H13F3N2S/c1-6-4-13-7(14-5-6)12-3-2-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNQBVHJFEDXXDPJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.27
Rot. Bonds2

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

5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035053) has the molecular formula C8H13F3N2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035053
Molecular FormulaC8H13F3N2S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Name5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCC(F)(F)F)SC1
InChIInChI=1S/C8H13F3N2S/c1-6-4-13-7(14-5-6)12-3-2-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNQBVHJFEDXXDPJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035053) is 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCC(F)(F)F)SC1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NQBVHJFEDXXDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2S/c1-6-4-13-7(14-5-6)12-3-2-8(9,10)11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).