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

C8H14N2O2S — CID 61295197

IUPACmethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)S1
InChIInChI=1S/C8H14N2O2S/c1-6-5-10-8(13-6)9-4-3-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyLEBSEPFTGDBRFX-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds3

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

methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 61295197) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID61295197
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namemethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)S1
InChIInChI=1S/C8H14N2O2S/c1-6-5-10-8(13-6)9-4-3-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyLEBSEPFTGDBRFX-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

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

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Related Compounds

3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanoic acid
CID 10702379
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
ethyl 3-[(5-methylidene-4H-1,3-thiazol-2-yl)amino]propanoate
CID 166441264
Methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropanoate
CID 68095865
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523
Methyl 3-[(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 123541293
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
ethyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61960676

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 61295197) is methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is COC(=O)CCNC1=NCC(C)S1.
What is the InChIKey of methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is LEBSEPFTGDBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6-5-10-8(13-6)9-4-3-7(11)12-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate 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 methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 61295197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).