2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C7H8N4O5S — CID 63646596

IUPAC2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C7H8N4O5S/c12-4(13)1-11(2-5(14)15)7(16)9-6-10-8-3-17-6/h3H,1-2H2,(H,12,13)(H,14,15)(H,9,10,16)
InChIKeyFZBHWCMNAZJTAZ-UHFFFAOYSA-N
MW260.23 g/mol
LogP-0.46
Rot. Bonds5

About 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 63646596) has the molecular formula C7H8N4O5S and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID63646596
Molecular FormulaC7H8N4O5S
Molecular Weight260.23 g/mol
Exact Mass260.02
IUPAC Name2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C7H8N4O5S/c12-4(13)1-11(2-5(14)15)7(16)9-6-10-8-3-17-6/h3H,1-2H2,(H,12,13)(H,14,15)(H,9,10,16)
InChIKeyFZBHWCMNAZJTAZ-UHFFFAOYSA-N
XLogP-0.46
TPSA132.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 63646596) is 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is FZBHWCMNAZJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O5S/c12-4(13)1-11(2-5(14)15)7(16)9-6-10-8-3-17-6/h3H,1-2H2,(H,12,13)(H,14,15)(H,9,10,16).
What are the key properties of 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 260.23 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63646596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).