2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid

C8H10N6O2S — CID 66043585

IUPAC2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESCCc1nnsc1-c1nnnn1C(C)C(=O)O
InChIInChI=1S/C8H10N6O2S/c1-3-5-6(17-13-9-5)7-10-11-12-14(7)4(2)8(15)16/h4H,3H2,1-2H3,(H,15,16)
InChIKeyLXDHBEWNWPYQRV-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.40
Rot. Bonds4

About 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid

2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66043585) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
PubChem CID66043585
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESCCc1nnsc1-c1nnnn1C(C)C(=O)O
InChIInChI=1S/C8H10N6O2S/c1-3-5-6(17-13-9-5)7-10-11-12-14(7)4(2)8(15)16/h4H,3H2,1-2H3,(H,15,16)
InChIKeyLXDHBEWNWPYQRV-UHFFFAOYSA-N
XLogP0.40
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic 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 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid (CID 66043585) is 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid is CCc1nnsc1-c1nnnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is LXDHBEWNWPYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c1-3-5-6(17-13-9-5)7-10-11-12-14(7)4(2)8(15)16/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid?
2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 254.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66043585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).