oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

C11H16N2O2S — CID 105099492

IUPACoxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1CCOCC1
InChIInChI=1S/C11H16N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyNZUIRUNDYXNQDW-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.27
Rot. Bonds3

About oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105099492) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105099492
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameoxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1CCOCC1
InChIInChI=1S/C11H16N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyNZUIRUNDYXNQDW-UHFFFAOYSA-N
XLogP2.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105099492) is oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)C1CCOCC1.
What is the InChIKey of oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is NZUIRUNDYXNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-3-5-15-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105099492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).