2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid

C8H6Cl2N4O2S — CID 107967056

IUPAC2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N4O2S/c1-3(8(15)16)14-7(11-12-13-14)4-2-5(9)17-6(4)10/h2-3H,1H3,(H,15,16)
InChIKeyZZPVZCTWHHEOFG-UHFFFAOYSA-N
MW293.14 g/mol
LogP2.35
Rot. Bonds3

About 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid

2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 107967056) has the molecular formula C8H6Cl2N4O2S and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID107967056
Molecular FormulaC8H6Cl2N4O2S
Molecular Weight293.14 g/mol
Exact Mass291.96
IUPAC Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N4O2S/c1-3(8(15)16)14-7(11-12-13-14)4-2-5(9)17-6(4)10/h2-3H,1H3,(H,15,16)
InChIKeyZZPVZCTWHHEOFG-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic 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-[5-(5-Chlorothiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 66041187
2-(5-Thiophen-3-yltetrazol-1-yl)propanoic acid
CID 66043385
2-[5-(5-Iodothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 79690493
2-[5-(4-Methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 79818337
2-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid
CID 107967053
2-[5-(2,5-Dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967057
2-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107967059
3-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967062
2-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 107967073
2-[[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 107967075
4-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 107967078
4-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]-3-methylbutanoic acid
CID 107967079

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid (CID 107967056) is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is ZZPVZCTWHHEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O2S/c1-3(8(15)16)14-7(11-12-13-14)4-2-5(9)17-6(4)10/h2-3H,1H3,(H,15,16).
What are the key properties of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid?
2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 293.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 107967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).