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

C9H15N3O2S — CID 65271739

IUPACethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-4-14-7(13)5-10-9-11-8(6(2)3)12-15-9/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyJYGWFORNFNWHJN-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.64
Rot. Bonds5

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

ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65271739) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65271739
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-4-14-7(13)5-10-9-11-8(6(2)3)12-15-9/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyJYGWFORNFNWHJN-UHFFFAOYSA-N
XLogP1.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65271739) is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is CCOC(=O)CNc1nc(C(C)C)ns1.
What is the InChIKey of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is JYGWFORNFNWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-14-7(13)5-10-9-11-8(6(2)3)12-15-9/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 229.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65271739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).