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

C9H16N2O2S — CID 65036368

IUPACmethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C9H16N2O2S/c1-7-5-11-9(14-6-7)10-4-3-8(12)13-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMOVFACCOHKIPCE-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.88
Rot. Bonds3

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

methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate (PubChem CID 65036368) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
PubChem CID65036368
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namemethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C9H16N2O2S/c1-7-5-11-9(14-6-7)10-4-3-8(12)13-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMOVFACCOHKIPCE-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

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

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Related Compounds

Methyl 3-[(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 123541293
2-[N'-methyl-N-(2-methylpropyl)carbamimidoyl]sulfanylacetic acid
CID 123574264
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
Ethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61960867
Methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296568
Ethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296665
ethyl 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate
CID 65035055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate (CID 65036368) is methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate is COC(=O)CCNC1=NCC(C)CS1.
What is the InChIKey of methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
The InChIKey is MOVFACCOHKIPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7-5-11-9(14-6-7)10-4-3-8(12)13-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate?
methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate 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 methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate is sourced from PubChem (CID 65036368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).