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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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(4-propylthiadiazol-5-yl)methanone
CID 102648517
4-Methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
CID 103024495
1-(4-Ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
CID 103024605
4-Methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one
CID 103024767
4-Methoxy-4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-one
CID 103024777
2-(Oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105091952
1-(4-Methylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105091975
2-(Oxan-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105092075
1-(4-Ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105092076
Oxan-4-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105099492
(4-Ethylthiadiazol-5-yl)-(oxan-4-yl)methanone
CID 105099495
1-(4-Methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one
CID 105106943

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).