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

C10H17N3O2S — CID 133430418

IUPACethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)ns1
InChIInChI=1S/C10H17N3O2S/c1-4-8-12-10(16-13-8)11-7(3)6-9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyFBADQJZXIORSGD-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.85
Rot. Bonds6

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

ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate (PubChem CID 133430418) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
PubChem CID133430418
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nameethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1nc(CC)ns1
InChIInChI=1S/C10H17N3O2S/c1-4-8-12-10(16-13-8)11-7(3)6-9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyFBADQJZXIORSGD-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate (CID 133430418) is ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate is CCOC(=O)CC(C)Nc1nc(CC)ns1.
What is the InChIKey of ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The InChIKey is FBADQJZXIORSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-8-12-10(16-13-8)11-7(3)6-9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate?
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate has a molecular weight of 243.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate is sourced from PubChem (CID 133430418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).