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

C8H11N3O2S — CID 65267546

IUPAC2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid
SMILESCc1nsc(N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyLMKDXGOUOSPZOA-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.76
Rot. Bonds3

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

2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid (PubChem CID 65267546) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid
PubChem CID65267546
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid
SMILESCc1nsc(N2CC(CC(=O)O)C2)n1
InChIInChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyLMKDXGOUOSPZOA-UHFFFAOYSA-N
XLogP0.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid (CID 65267546) is 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid is Cc1nsc(N2CC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid?
The InChIKey is LMKDXGOUOSPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-3-6(4-11)2-7(12)13/h6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid?
2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid has a molecular weight of 213.26 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-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65267546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).