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

C9H15N3O2S — CID 14749040

IUPACmethyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCCc1nsc(N(C)CC(=O)OC)n1
InChIInChI=1S/C9H15N3O2S/c1-4-5-7-10-9(15-11-7)12(2)6-8(13)14-3/h4-6H2,1-3H3
InChIKeyFXUZYKLPMXHDAW-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.10
Rot. Bonds5

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

methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 14749040) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID14749040
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCCc1nsc(N(C)CC(=O)OC)n1
InChIInChI=1S/C9H15N3O2S/c1-4-5-7-10-9(15-11-7)12(2)6-8(13)14-3/h4-6H2,1-3H3
InChIKeyFXUZYKLPMXHDAW-UHFFFAOYSA-N
XLogP1.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 14749040) is methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate is CCCc1nsc(N(C)CC(=O)OC)n1.
What is the InChIKey of methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is FXUZYKLPMXHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-5-7-10-9(15-11-7)12(2)6-8(13)14-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate?
methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 229.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 14749040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).