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

C7H11N3O2S — CID 65267721

IUPAC2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C7H11N3O2S/c1-4(6(11)12)10(3)7-8-5(2)9-13-7/h4H,1-3H3,(H,11,12)
InChIKeyZFOKBRJWMGTAFL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.76
Rot. Bonds3

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

2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65267721) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65267721
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C7H11N3O2S/c1-4(6(11)12)10(3)7-8-5(2)9-13-7/h4H,1-3H3,(H,11,12)
InChIKeyZFOKBRJWMGTAFL-UHFFFAOYSA-N
XLogP0.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
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-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304309
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304318
2-Methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304323
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanoic acid
CID 107304324
2-[Tert-butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304385

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65267721) is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is Cc1nsc(N(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is ZFOKBRJWMGTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(6(11)12)10(3)7-8-5(2)9-13-7/h4H,1-3H3,(H,11,12).
What are the key properties of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 201.25 g/mol, XLogP of 0.76, 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]propanoic acid is sourced from PubChem (CID 65267721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).