4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid

C9H12N6O2S — CID 66044622

IUPAC4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
SMILESCCc1nnsc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-2-6-8(18-14-10-6)9-11-12-13-15(9)5-3-4-7(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyCDDBHSQTEQATGB-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.62
Rot. Bonds6

About 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid

4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid (PubChem CID 66044622) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
PubChem CID66044622
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
SMILESCCc1nnsc1-c1nnnn1CCCC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-2-6-8(18-14-10-6)9-11-12-13-15(9)5-3-4-7(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyCDDBHSQTEQATGB-UHFFFAOYSA-N
XLogP0.62
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid (CID 66044622) is 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid is CCc1nnsc1-c1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is CDDBHSQTEQATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-2-6-8(18-14-10-6)9-11-12-13-15(9)5-3-4-7(16)17/h2-5H2,1H3,(H,16,17).
What are the key properties of 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid?
4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 268.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).