4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one

C12H20N2O2S — CID 103024495

IUPAC4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
SMILESCCCc1nnsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H20N2O2S/c1-5-6-9-11(17-14-13-9)10(15)7-8-12(2,3)16-4/h5-8H2,1-4H3
InChIKeyFGMVMOPSILQWSE-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.88
Rot. Bonds7

About 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one

4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one (PubChem CID 103024495) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
PubChem CID103024495
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
SMILESCCCc1nnsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H20N2O2S/c1-5-6-9-11(17-14-13-9)10(15)7-8-12(2,3)16-4/h5-8H2,1-4H3
InChIKeyFGMVMOPSILQWSE-UHFFFAOYSA-N
XLogP2.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one?
The IUPAC name of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one (CID 103024495) is 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one is CCCc1nnsc1C(=O)CCC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one?
The InChIKey is FGMVMOPSILQWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-6-9-11(17-14-13-9)10(15)7-8-12(2,3)16-4/h5-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one?
4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one has a molecular weight of 256.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one is sourced from PubChem (CID 103024495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).