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

C9H13N3O2S — CID 65271740

IUPACethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3O2S/c1-2-14-7(13)5-10-9-11-8(12-15-9)6-3-4-6/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyBCVXFAMGPYOVSY-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.39
Rot. Bonds5

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

ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65271740) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65271740
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3O2S/c1-2-14-7(13)5-10-9-11-8(12-15-9)6-3-4-6/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyBCVXFAMGPYOVSY-UHFFFAOYSA-N
XLogP1.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65271740) is ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate is CCOC(=O)CNc1nc(C2CC2)ns1.
What is the InChIKey of ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is BCVXFAMGPYOVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-14-7(13)5-10-9-11-8(12-15-9)6-3-4-6/h6H,2-5H2,1H3,(H,10,11,12).
What are the key properties of ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 227.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65271740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).