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

C11H19N3O2S — CID 65274975

IUPACethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-5-14(7-9(15)16-6-2)11-12-10(8(3)4)13-17-11/h8H,5-7H2,1-4H3
InChIKeyZEVZIBCJIIYZRE-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.05
Rot. Bonds6

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

ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65274975) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65274975
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-5-14(7-9(15)16-6-2)11-12-10(8(3)4)13-17-11/h8H,5-7H2,1-4H3
InChIKeyZEVZIBCJIIYZRE-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65274975) is ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is CCOC(=O)CN(CC)c1nc(C(C)C)ns1.
What is the InChIKey of ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is ZEVZIBCJIIYZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-14(7-9(15)16-6-2)11-12-10(8(3)4)13-17-11/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 257.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65274975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).