3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

C11H14N2O2S — CID 105127476

IUPAC3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1=COCCC1
InChIInChI=1S/C11H14N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-4-3-5-15-6-8/h6-7H,3-5H2,1-2H3
InChIKeyRGDMWTKVXIZBHO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105127476) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105127476
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)C1=COCCC1
InChIInChI=1S/C11H14N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-4-3-5-15-6-8/h6-7H,3-5H2,1-2H3
InChIKeyRGDMWTKVXIZBHO-UHFFFAOYSA-N
XLogP2.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105127476) is 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is RGDMWTKVXIZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8-4-3-5-15-6-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 238.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105127476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).