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

C17H13N3O4S — CID 10808093

IUPAC2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
InChIKeyJZAHMVTXFHMSNE-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.92
Rot. Bonds6

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

2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 10808093) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid
PubChem CID10808093
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
InChIKeyJZAHMVTXFHMSNE-UHFFFAOYSA-N
XLogP2.92
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]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-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid (CID 10808093) is 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is JZAHMVTXFHMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23).
What are the key properties of 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid?
2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 355.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 10808093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).