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

C8H13N3O2S — CID 65267601

IUPACethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-3-13-7(12)4-5-9-8-10-6(2)11-14-8/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyBTTNKOXOSFTXKA-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.21
Rot. Bonds5

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

ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65267601) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65267601
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-3-13-7(12)4-5-9-8-10-6(2)11-14-8/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyBTTNKOXOSFTXKA-UHFFFAOYSA-N
XLogP1.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Ethyl 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoate
CID 107304357
Methyl 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107304754
Ethyl 3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107305874
Ethyl 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 113943861
Ethyl (5-amino-1,2,4-thiadiazol-3-yl)acetate
CID 13326900
Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate
CID 21458503
Ethyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458556
Methyl 2-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 57228527
Methyl 2-[5-(2-methylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 67878623
1-[5-(2-Methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713652
1-[5-(3-Methoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713653
1-[5-(3-Ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713654

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65267601) is ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCOC(=O)CCNc1nc(C)ns1.
What is the InChIKey of ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is BTTNKOXOSFTXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-13-7(12)4-5-9-8-10-6(2)11-14-8/h3-5H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 215.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65267601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).