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

C12H22N2O2S — CID 106250374

IUPACmethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCCC1(CC)CN=C(NC(C)C(=O)OC)SC1
InChIInChI=1S/C12H22N2O2S/c1-5-12(6-2)7-13-11(17-8-12)14-9(3)10(15)16-4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyAQZONNVLEJCKPH-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.05
Rot. Bonds4

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

methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (PubChem CID 106250374) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
PubChem CID106250374
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Namemethyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCCC1(CC)CN=C(NC(C)C(=O)OC)SC1
InChIInChI=1S/C12H22N2O2S/c1-5-12(6-2)7-13-11(17-8-12)14-9(3)10(15)16-4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyAQZONNVLEJCKPH-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate with MolForge

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Related Compounds

Ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 54960238
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61499343
Methyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499344
Methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499373
Methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 61499374
Methyl 3-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]butanoate
CID 61666815
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-4-methylpentanoate
CID 61666817
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3-methylbutanoate
CID 61667488
Methyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296252
Ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296253
methyl 3-methyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate
CID 65035885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (CID 106250374) is methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is CCC1(CC)CN=C(NC(C)C(=O)OC)SC1.
What is the InChIKey of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The InChIKey is AQZONNVLEJCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-12(6-2)7-13-11(17-8-12)14-9(3)10(15)16-4/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate has a molecular weight of 258.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is sourced from PubChem (CID 106250374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).