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

C12H22N2O2S — CID 106250230

IUPACethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(CC)(CC)CS1
InChIInChI=1S/C12H22N2O2S/c1-4-12(5-2)8-14-11(17-9-12)13-7-10(15)16-6-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyLFEIRBZCZUFROH-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.05
Rot. Bonds5

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

ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate (PubChem CID 106250230) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
PubChem CID106250230
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Nameethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(CC)(CC)CS1
InChIInChI=1S/C12H22N2O2S/c1-4-12(5-2)8-14-11(17-9-12)13-7-10(15)16-6-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyLFEIRBZCZUFROH-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 60810828
Ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 63296343
ethyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
CID 65036118
methyl 2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]acetate
CID 65036233
Ethyl 2-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanoate
CID 103967746
ethyl 2-[(4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 104107874
5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249642
Methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate
CID 106249882
N-(2-ethoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250201
Methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 106250374
Methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-3-methylbutanoate
CID 106250522
N-(2-butoxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate (CID 106250230) is ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate is CCOC(=O)CNC1=NCC(CC)(CC)CS1.
What is the InChIKey of ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
The InChIKey is LFEIRBZCZUFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-12(5-2)8-14-11(17-9-12)13-7-10(15)16-6-3/h4-9H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate?
ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate has a molecular weight of 258.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]acetate is sourced from PubChem (CID 106250230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).