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

C6H8N4O3S — CID 43135652

IUPAC2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C6H8N4O3S/c1-10(2-4(11)12)6(13)8-5-9-7-3-14-5/h3H,2H2,1H3,(H,11,12)(H,8,9,13)
InChIKeyRQHPUVHATKDHES-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.09
Rot. Bonds3

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

2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 43135652) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID43135652
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C6H8N4O3S/c1-10(2-4(11)12)6(13)8-5-9-7-3-14-5/h3H,2H2,1H3,(H,11,12)(H,8,9,13)
InChIKeyRQHPUVHATKDHES-UHFFFAOYSA-N
XLogP0.09
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 43135652) is 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is RQHPUVHATKDHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3S/c1-10(2-4(11)12)6(13)8-5-9-7-3-14-5/h3H,2H2,1H3,(H,11,12)(H,8,9,13).
What are the key properties of 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 216.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43135652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).