2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

C7H11N3O2S — CID 65268011

IUPAC2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-10(4-6(11)12)7-8-5(2)9-13-7/h3-4H2,1-2H3,(H,11,12)
InChIKeyOJJQJMOUXURBRC-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.76
Rot. Bonds4

About 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid

2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65268011) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65268011
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-10(4-6(11)12)7-8-5(2)9-13-7/h3-4H2,1-2H3,(H,11,12)
InChIKeyOJJQJMOUXURBRC-UHFFFAOYSA-N
XLogP0.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65268011) is 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is CCN(CC(=O)O)c1nc(C)ns1.
What is the InChIKey of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is OJJQJMOUXURBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-10(4-6(11)12)7-8-5(2)9-13-7/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 201.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65268011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).