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

C10H8Cl2N4O2S — CID 107967083

IUPAC1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2cc(Cl)sc2Cl)CCC1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-4-5(7(12)19-6)8-13-14-15-16(8)10(9(17)18)2-1-3-10/h4H,1-3H2,(H,17,18)
InChIKeyAWJRWRMZLRBGLZ-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.67
Rot. Bonds3

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

1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 107967083) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID107967083
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC Name1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2cc(Cl)sc2Cl)CCC1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-4-5(7(12)19-6)8-13-14-15-16(8)10(9(17)18)2-1-3-10/h4H,1-3H2,(H,17,18)
InChIKeyAWJRWRMZLRBGLZ-UHFFFAOYSA-N
XLogP2.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 107967083) is 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2-c2cc(Cl)sc2Cl)CCC1.
What is the InChIKey of 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is AWJRWRMZLRBGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c11-6-4-5(7(12)19-6)8-13-14-15-16(8)10(9(17)18)2-1-3-10/h4H,1-3H2,(H,17,18).
What are the key properties of 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 319.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).