(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone

C10H14N2O2S — CID 105099495

IUPAC(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCOCC1
InChIInChI=1S/C10H14N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7H,2-6H2,1H3
InChIKeyZGHMJSBJEZZQLW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.71
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone

(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone (PubChem CID 105099495) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone
PubChem CID105099495
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCOCC1
InChIInChI=1S/C10H14N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7H,2-6H2,1H3
InChIKeyZGHMJSBJEZZQLW-UHFFFAOYSA-N
XLogP1.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone 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-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone (CID 105099495) is (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone is CCc1nnsc1C(=O)C1CCOCC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone?
The InChIKey is ZGHMJSBJEZZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-8-10(15-12-11-8)9(13)7-3-5-14-6-4-7/h7H,2-6H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone?
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 105099495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).