1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one

C11H18N2O2S — CID 103024605

IUPAC1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
SMILESCCc1nnsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C11H18N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h5-7H2,1-4H3
InChIKeyLJVZOAMGELSNGK-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one

1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one (PubChem CID 103024605) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
PubChem CID103024605
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one
SMILESCCc1nnsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C11H18N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h5-7H2,1-4H3
InChIKeyLJVZOAMGELSNGK-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one (CID 103024605) is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one is CCc1nnsc1C(=O)CCC(C)(C)OC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one?
The InChIKey is LJVZOAMGELSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h5-7H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one?
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one has a molecular weight of 242.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 103024605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).