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

C6H9N3O2S — CID 65268296

IUPAC2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(C)CC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-4-7-6(12-8-4)9(2)3-5(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyOCCCFYKMYXOEKS-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.37
Rot. Bonds3

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

2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65268296) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65268296
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCc1nsc(N(C)CC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-4-7-6(12-8-4)9(2)3-5(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyOCCCFYKMYXOEKS-UHFFFAOYSA-N
XLogP0.37
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 14749035
3-Methyl-1,2,4-thiadiazole-5-carboxylic acid
CID 23145596
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258651
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304255
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Butan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304282
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304288
2-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304301

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65268296) is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is Cc1nsc(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is OCCCFYKMYXOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-4-7-6(12-8-4)9(2)3-5(10)11/h3H2,1-2H3,(H,10,11).
What are the key properties of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 187.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65268296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).