ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate

C8H13N3O2S — CID 65267455

IUPACethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-4-13-7(12)5(2)9-8-10-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyNELXSRFIFFDQGU-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.21
Rot. Bonds4

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

ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65267455) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65267455
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-4-13-7(12)5(2)9-8-10-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyNELXSRFIFFDQGU-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoate
CID 107304304
3-Methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304405
Methyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107304713
Ethyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107304732
Ethyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107304838
methyl (2S)-2-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 22887917
Ethyl 2-[[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19317748
Ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 65267448
Ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65267490
N-(2-methoxyethyl)-3-(propoxymethyl)-1,2,4-thiadiazol-5-amine
CID 65267592
Ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65267601
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65267655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65267455) is ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(C)ns1.
What is the InChIKey of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is NELXSRFIFFDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-13-7(12)5(2)9-8-10-6(3)11-14-8/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 215.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65267455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).