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

C5H7N3O2S — CID 65267658

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(NCC(=O)O)n1
InChIInChI=1S/C5H7N3O2S/c1-3-7-5(11-8-3)6-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeySSFILIWMMUKAHE-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.34
Rot. Bonds3

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65267658) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65267658
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(NCC(=O)O)n1
InChIInChI=1S/C5H7N3O2S/c1-3-7-5(11-8-3)6-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeySSFILIWMMUKAHE-UHFFFAOYSA-N
XLogP0.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65267658) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is Cc1nsc(NCC(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is SSFILIWMMUKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-3-7-5(11-8-3)6-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 173.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65267658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).