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

C10H18N2O2S — CID 65036618

IUPACethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C10H18N2O2S/c1-3-14-9(13)4-5-11-10-12-6-8(2)7-15-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyCIRNCAZOQOIAGW-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.27
Rot. Bonds4

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

ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate (PubChem CID 65036618) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
PubChem CID65036618
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Nameethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C10H18N2O2S/c1-3-14-9(13)4-5-11-10-12-6-8(2)7-15-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyCIRNCAZOQOIAGW-UHFFFAOYSA-N
XLogP1.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Ethyl (1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetate
CID 5200502
Ethyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetate hydrochloride
CID 129791622
Ethyl (1,4,5,6-tetrahydro-2-pyrimidinylthio)acetate hydrobromide
CID 129791936
Ethyl (4,5,6,7-tetrahydro-1h-1,3-diazepin-2-ylthio)acetate
CID 129792999
Methyl 3-[(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 123541293
Ethyl 3-[[amino(butan-2-ylsulfanyl)methylidene]amino]-2-methylpropanoate
CID 174178570
methyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61295193
Methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61295194
Methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61295197
N-(3-methoxy-2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61959501
ethyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61960676
Ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61960677

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate (CID 65036618) is ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate is CCOC(=O)CCNC1=NCC(C)CS1.
What is the InChIKey of ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The InChIKey is CIRNCAZOQOIAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-14-9(13)4-5-11-10-12-6-8(2)7-15-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate has a molecular weight of 230.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate is sourced from PubChem (CID 65036618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).