methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate

C8H14N2O2S — CID 65036233

IUPACmethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
SMILESCOC(=O)CNC1=NCC(C)CS1
InChIInChI=1S/C8H14N2O2S/c1-6-3-9-8(13-5-6)10-4-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyGDXHEOJRIRWMFH-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.49
Rot. Bonds2

About methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate

methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate (PubChem CID 65036233) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
PubChem CID65036233
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
SMILESCOC(=O)CNC1=NCC(C)CS1
InChIInChI=1S/C8H14N2O2S/c1-6-3-9-8(13-5-6)10-4-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyGDXHEOJRIRWMFH-UHFFFAOYSA-N
XLogP0.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate (CID 65036233) is methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate is COC(=O)CNC1=NCC(C)CS1.
What is the InChIKey of methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The InChIKey is GDXHEOJRIRWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6-3-9-8(13-5-6)10-4-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate has a molecular weight of 202.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate is sourced from PubChem (CID 65036233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).