1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C10H9ClN4O2S — CID 81166770

IUPAC1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccc(Cl)s2)CCC1
InChIInChI=1S/C10H9ClN4O2S/c11-7-3-2-6(18-7)8-12-13-14-15(8)10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,16,17)
InChIKeyJIESYQOVBITLDN-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.02
Rot. Bonds3

About 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81166770) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81166770
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccc(Cl)s2)CCC1
InChIInChI=1S/C10H9ClN4O2S/c11-7-3-2-6(18-7)8-12-13-14-15(8)10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,16,17)
InChIKeyJIESYQOVBITLDN-UHFFFAOYSA-N
XLogP2.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81166770) is 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2-c2ccc(Cl)s2)CCC1.
What is the InChIKey of 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is JIESYQOVBITLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-7-3-2-6(18-7)8-12-13-14-15(8)10(9(16)17)4-1-5-10/h2-3H,1,4-5H2,(H,16,17).
What are the key properties of 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 284.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).