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

C8H13N3O2S — CID 65267545

IUPAC2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-4-6(7(12)13)11(3)8-9-5(2)10-14-8/h6H,4H2,1-3H3,(H,12,13)
InChIKeyXXDHUDGPPRPYKS-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.15
Rot. Bonds4

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

2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (PubChem CID 65267545) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
PubChem CID65267545
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-4-6(7(12)13)11(3)8-9-5(2)10-14-8/h6H,4H2,1-3H3,(H,12,13)
InChIKeyXXDHUDGPPRPYKS-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (CID 65267545) is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The canonical SMILES for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is CCC(C(=O)O)N(C)c1nc(C)ns1.
What is the InChIKey of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The InChIKey is XXDHUDGPPRPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-6(7(12)13)11(3)8-9-5(2)10-14-8/h6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid has a molecular weight of 215.28 g/mol, XLogP of 1.15, 4 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]butanoic acid is sourced from PubChem (CID 65267545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).