1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C11H14N6O2S — CID 81166765

IUPAC1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCCCc1nnsc1-c1nnnn1C1(C(=O)O)CCC1
InChIInChI=1S/C11H14N6O2S/c1-2-4-7-8(20-16-12-7)9-13-14-15-17(9)11(10(18)19)5-3-6-11/h2-6H2,1H3,(H,18,19)
InChIKeyPUGBOIGABIKTBC-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.11
Rot. Bonds5

About 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81166765) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81166765
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCCCc1nnsc1-c1nnnn1C1(C(=O)O)CCC1
InChIInChI=1S/C11H14N6O2S/c1-2-4-7-8(20-16-12-7)9-13-14-15-17(9)11(10(18)19)5-3-6-11/h2-6H2,1H3,(H,18,19)
InChIKeyPUGBOIGABIKTBC-UHFFFAOYSA-N
XLogP1.11
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81166765) is 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is CCCc1nnsc1-c1nnnn1C1(C(=O)O)CCC1.
What is the InChIKey of 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is PUGBOIGABIKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-2-4-7-8(20-16-12-7)9-13-14-15-17(9)11(10(18)19)5-3-6-11/h2-6H2,1H3,(H,18,19).
What are the key properties of 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propylthiadiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).