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

C9H10N2O2S — CID 105127375

IUPAC3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)C1=COCCC1
InChIInChI=1S/C9H10N2O2S/c1-6-9(14-11-10-6)8(12)7-3-2-4-13-5-7/h5H,2-4H2,1H3
InChIKeyFCEAAKVBBDCJOL-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.72
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone (PubChem CID 105127375) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
PubChem CID105127375
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)C1=COCCC1
InChIInChI=1S/C9H10N2O2S/c1-6-9(14-11-10-6)8(12)7-3-2-4-13-5-7/h5H,2-4H2,1H3
InChIKeyFCEAAKVBBDCJOL-UHFFFAOYSA-N
XLogP1.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.72
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-methylthiadiazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone (CID 105127375) is 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FCEAAKVBBDCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6-9(14-11-10-6)8(12)7-3-2-4-13-5-7/h5H,2-4H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 210.26 g/mol, XLogP of 1.72, 2 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-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).