N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C10H14F3N3O2S — CID 162583384

IUPACN-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(=O)NC1NC(CN(C)C(=O)C(F)(F)F)=CCS1
InChIInChI=1S/C10H14F3N3O2S/c1-6(17)14-9-15-7(3-4-19-9)5-16(2)8(18)10(11,12)13/h3,9,15H,4-5H2,1-2H3,(H,14,17)
InChIKeyHGKIHXYFOBCQRR-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.65
Rot. Bonds3

About N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 162583384) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID162583384
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(=O)NC1NC(CN(C)C(=O)C(F)(F)F)=CCS1
InChIInChI=1S/C10H14F3N3O2S/c1-6(17)14-9-15-7(3-4-19-9)5-16(2)8(18)10(11,12)13/h3,9,15H,4-5H2,1-2H3,(H,14,17)
InChIKeyHGKIHXYFOBCQRR-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 162583384) is N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is CC(=O)NC1NC(CN(C)C(=O)C(F)(F)F)=CCS1.
What is the InChIKey of N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is HGKIHXYFOBCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-6(17)14-9-15-7(3-4-19-9)5-16(2)8(18)10(11,12)13/h3,9,15H,4-5H2,1-2H3,(H,14,17).
What are the key properties of N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 297.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetamido-3,6-dihydro-2H-1,3-thiazin-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 162583384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).