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

C9H16N2O2S — CID 65036118

IUPACethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C)CS1
InChIInChI=1S/C9H16N2O2S/c1-3-13-8(12)5-11-9-10-4-7(2)6-14-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHJJTYXYTFQMIKM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.88
Rot. Bonds3

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

ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate (PubChem CID 65036118) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
PubChem CID65036118
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C)CS1
InChIInChI=1S/C9H16N2O2S/c1-3-13-8(12)5-11-9-10-4-7(2)6-14-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHJJTYXYTFQMIKM-UHFFFAOYSA-N
XLogP0.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate (CID 65036118) is ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate is CCOC(=O)CNC1=NCC(C)CS1.
What is the InChIKey of ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
The InChIKey is HJJTYXYTFQMIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-13-8(12)5-11-9-10-4-7(2)6-14-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate?
ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate has a molecular weight of 216.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate is sourced from PubChem (CID 65036118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).