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

C8H8F3N3O2S — CID 114449392

IUPAC2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-2-4(3-14)1-5(15)16/h4H,1-3H2,(H,15,16)
InChIKeyPALAMHVKXUCLFY-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.47
Rot. Bonds3

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

2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid (PubChem CID 114449392) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
PubChem CID114449392
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC Name2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-2-4(3-14)1-5(15)16/h4H,1-3H2,(H,15,16)
InChIKeyPALAMHVKXUCLFY-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid (CID 114449392) is 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid?
The InChIKey is PALAMHVKXUCLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-2-4(3-14)1-5(15)16/h4H,1-3H2,(H,15,16).
What are the key properties of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid?
2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid has a molecular weight of 267.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 114449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).