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

C9H8Cl2N4O2S — CID 107967059

IUPAC2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N4O2S/c1-9(2,8(16)17)15-7(12-13-14-15)4-3-5(10)18-6(4)11/h3H,1-2H3,(H,16,17)
InChIKeyCBOAMIBOXYGAFS-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.53
Rot. Bonds3

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

2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 107967059) has the molecular formula C9H8Cl2N4O2S and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID107967059
Molecular FormulaC9H8Cl2N4O2S
Molecular Weight307.16 g/mol
Exact Mass305.97
IUPAC Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N4O2S/c1-9(2,8(16)17)15-7(12-13-14-15)4-3-5(10)18-6(4)11/h3H,1-2H3,(H,16,17)
InChIKeyCBOAMIBOXYGAFS-UHFFFAOYSA-N
XLogP2.53
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
CID 66041797
2-[5-(5-Chlorothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66042805
2-[5-(5-Iodothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 79690657
2-Methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
CID 79788474
2-[5-(5-Iodothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79790147
2-[5-(5-Chlorothiophen-2-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79791030
2-Ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
CID 79809122
2-[5-(5-Chlorothiophen-2-yl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79809651
2-Methyl-2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 79818413
2-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid
CID 107967053
2-[5-(2,5-Dichlorothiophen-3-yl)tetrazol-1-yl]propanoic acid
CID 107967056
2-[5-(2,5-Dibromothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107967060

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid (CID 107967059) is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1nnnc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is CBOAMIBOXYGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2S/c1-9(2,8(16)17)15-7(12-13-14-15)4-3-5(10)18-6(4)11/h3H,1-2H3,(H,16,17).
What are the key properties of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 307.16 g/mol, XLogP of 2.53, 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]-2-methylpropanoic acid is sourced from PubChem (CID 107967059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).