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

C11H10N2O2S — CID 130250837

IUPAC2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
SMILESCc1nsc(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C11H10N2O2S/c1-7-12-11(16-13-7)9-4-2-3-8(5-9)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyGSUZDNODEVFQOR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.14
Rot. Bonds3

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

2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid (PubChem CID 130250837) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
PubChem CID130250837
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
SMILESCc1nsc(-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C11H10N2O2S/c1-7-12-11(16-13-7)9-4-2-3-8(5-9)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyGSUZDNODEVFQOR-UHFFFAOYSA-N
XLogP2.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)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

Related Compounds

2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
CID 130731432
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155911361
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
CID 83889371
2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345287
2-[3-(2-phenylethynyl)phenyl]acetic acid
CID 69085566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid (CID 130250837) is 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid is Cc1nsc(-c2cccc(CC(=O)O)c2)n1.
What is the InChIKey of 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid?
The InChIKey is GSUZDNODEVFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-12-11(16-13-7)9-4-2-3-8(5-9)6-10(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid?
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid has a molecular weight of 234.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid is sourced from PubChem (CID 130250837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).