4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid

C10H10N2O3S2 — CID 66436276

IUPAC4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
SMILESCCCc1nsc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N2O3S2/c1-2-3-8-11-10(17-12-8)15-6-4-7(9(13)14)16-5-6/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQCRRVRZVHDKURV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds5

About 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid

4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid (PubChem CID 66436276) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
PubChem CID66436276
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid
SMILESCCCc1nsc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C10H10N2O3S2/c1-2-3-8-11-10(17-12-8)15-6-4-7(9(13)14)16-5-6/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyQCRRVRZVHDKURV-UHFFFAOYSA-N
XLogP3.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic 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

methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate
CID 65274735
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
4-fluoro-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 107016499
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
4-pentan-2-yloxythiophene-2-carboxylic acid
CID 107890074
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436265
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274480

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid (CID 66436276) is 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid is CCCc1nsc(Oc2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid?
The InChIKey is QCRRVRZVHDKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-2-3-8-11-10(17-12-8)15-6-4-7(9(13)14)16-5-6/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid?
4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).