methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate

C9H11N3O5S — CID 62953312

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cnsn1
InChIInChI=1S/C9H11N3O5S/c1-16-7(13)4-12(5-8(14)17-2)9(15)6-3-10-18-11-6/h3H,4-5H2,1-2H3
InChIKeyUGBVHQRNKDRREN-UHFFFAOYSA-N
MW273.27 g/mol
LogP-0.67
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate (PubChem CID 62953312) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
PubChem CID62953312
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cnsn1
InChIInChI=1S/C9H11N3O5S/c1-16-7(13)4-12(5-8(14)17-2)9(15)6-3-10-18-11-6/h3H,4-5H2,1-2H3
InChIKeyUGBVHQRNKDRREN-UHFFFAOYSA-N
XLogP-0.67
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate (CID 62953312) is methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1cnsn1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
The InChIKey is UGBVHQRNKDRREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c1-16-7(13)4-12(5-8(14)17-2)9(15)6-3-10-18-11-6/h3H,4-5H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate has a molecular weight of 273.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 62953312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).