ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate

C8H14N2O2S — CID 60810828

IUPACethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
SMILESCCOC(=O)CNC1=NCCCS1
InChIInChI=1S/C8H14N2O2S/c1-2-12-7(11)6-10-8-9-4-3-5-13-8/h2-6H2,1H3,(H,9,10)
InChIKeyGOAAUAQNOFJDLK-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds3

About ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate

ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate (PubChem CID 60810828) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
PubChem CID60810828
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
SMILESCCOC(=O)CNC1=NCCCS1
InChIInChI=1S/C8H14N2O2S/c1-2-12-7(11)6-10-8-9-4-3-5-13-8/h2-6H2,1H3,(H,9,10)
InChIKeyGOAAUAQNOFJDLK-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetate
CID 5200502
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 43148977
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 60810970
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
Ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61498977
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499026
Ethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499027
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61499343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The IUPAC name of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate (CID 60810828) is ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate is CCOC(=O)CNC1=NCCCS1.
What is the InChIKey of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The InChIKey is GOAAUAQNOFJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-12-7(11)6-10-8-9-4-3-5-13-8/h2-6H2,1H3,(H,9,10).
What are the key properties of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate has a molecular weight of 202.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate is sourced from PubChem (CID 60810828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).