methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate

C11H17N3O2S — CID 65275315

IUPACmethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)c1nc(C2CC2)ns1
InChIInChI=1S/C11H17N3O2S/c1-3-14(7-6-9(15)16-2)11-12-10(13-17-11)8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyUEPLYFREMPOTBH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.80
Rot. Bonds6

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

methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate (PubChem CID 65275315) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate
PubChem CID65275315
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)c1nc(C2CC2)ns1
InChIInChI=1S/C11H17N3O2S/c1-3-14(7-6-9(15)16-2)11-12-10(13-17-11)8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyUEPLYFREMPOTBH-UHFFFAOYSA-N
XLogP1.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate (CID 65275315) is methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate is CCN(CCC(=O)OC)c1nc(C2CC2)ns1.
What is the InChIKey of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate?
The InChIKey is UEPLYFREMPOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-14(7-6-9(15)16-2)11-12-10(13-17-11)8-4-5-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate?
methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate has a molecular weight of 255.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]propanoate is sourced from PubChem (CID 65275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).