2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid

C17H14N2O3S — CID 86803328

IUPAC2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H14N2O3S/c20-16(21)10-12-6-8-14(9-7-12)22-11-15-18-19-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21)
InChIKeyDNKIPWNULLQIHA-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.41
Rot. Bonds6

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

2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid (PubChem CID 86803328) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid
PubChem CID86803328
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H14N2O3S/c20-16(21)10-12-6-8-14(9-7-12)22-11-15-18-19-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21)
InChIKeyDNKIPWNULLQIHA-UHFFFAOYSA-N
XLogP3.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]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-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid (CID 86803328) is 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid?
The InChIKey is DNKIPWNULLQIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(21)10-12-6-8-14(9-7-12)22-11-15-18-19-17(23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,21).
What are the key properties of 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid?
2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid has a molecular weight of 326.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 86803328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).