methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate

C8H13N3O2S — CID 65271140

IUPACmethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCCc1nsc(NCC(=O)OC)n1
InChIInChI=1S/C8H13N3O2S/c1-3-4-6-10-8(14-11-6)9-5-7(12)13-2/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyNCENTAADVASZAR-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.08
Rot. Bonds5

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

methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65271140) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65271140
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCCc1nsc(NCC(=O)OC)n1
InChIInChI=1S/C8H13N3O2S/c1-3-4-6-10-8(14-11-6)9-5-7(12)13-2/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyNCENTAADVASZAR-UHFFFAOYSA-N
XLogP1.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65271140) is methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate is CCCc1nsc(NCC(=O)OC)n1.
What is the InChIKey of methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is NCENTAADVASZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-6-10-8(14-11-6)9-5-7(12)13-2/h3-5H2,1-2H3,(H,9,10,11).
What are the key properties of methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 215.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65271140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).