2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid

C11H15N3O3S — CID 102658107

IUPAC2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O3S/c1-11(17-4-8(15)16)5-14(6-11)10-12-9(13-18-10)7-2-3-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyKDKRHQIOTHWXJP-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.10
Rot. Bonds5

About 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658107) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658107
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O3S/c1-11(17-4-8(15)16)5-14(6-11)10-12-9(13-18-10)7-2-3-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyKDKRHQIOTHWXJP-UHFFFAOYSA-N
XLogP1.10
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658107) is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is KDKRHQIOTHWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(17-4-8(15)16)5-14(6-11)10-12-9(13-18-10)7-2-3-7/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 269.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).