ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate

C9H13N3O3S — CID 63102627

IUPACethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csnn1
InChIInChI=1S/C9H13N3O3S/c1-3-12(5-8(13)15-4-2)9(14)7-6-16-11-10-7/h6H,3-5H2,1-2H3
InChIKeyUBRSWXCIFNDHSQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate

ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate (PubChem CID 63102627) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate
PubChem CID63102627
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csnn1
InChIInChI=1S/C9H13N3O3S/c1-3-12(5-8(13)15-4-2)9(14)7-6-16-11-10-7/h6H,3-5H2,1-2H3
InChIKeyUBRSWXCIFNDHSQ-UHFFFAOYSA-N
XLogP0.56
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate (CID 63102627) is ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1csnn1.
What is the InChIKey of ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate?
The InChIKey is UBRSWXCIFNDHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-12(5-8(13)15-4-2)9(14)7-6-16-11-10-7/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate?
ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate has a molecular weight of 243.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(thiadiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 63102627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).